[(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone

C21H26N6O3 — CID 144786973

IUPAC[(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
SMILESCCC(O)c1nc(C2CC[C@@H](C)N(C(=O)c3ccccc3-n3ncnn3)C2)oc1C
InChIInChI=1S/C21H26N6O3/c1-4-18(28)19-14(3)30-20(24-19)15-10-9-13(2)26(11-15)21(29)16-7-5-6-8-17(16)27-23-12-22-25-27/h5-8,12-13,15,18,28H,4,9-11H2,1-3H3/t13-,15?,18?/m1/s1
InChIKeyBJJRZAMEAGVYJQ-MJJDPTRDSA-N
MW410.48 g/mol
LogP2.81
Rot. Bonds5

About [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone

[(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone (PubChem CID 144786973) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
PubChem CID144786973
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC Name[(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
SMILESCCC(O)c1nc(C2CC[C@@H](C)N(C(=O)c3ccccc3-n3ncnn3)C2)oc1C
InChIInChI=1S/C21H26N6O3/c1-4-18(28)19-14(3)30-20(24-19)15-10-9-13(2)26(11-15)21(29)16-7-5-6-8-17(16)27-23-12-22-25-27/h5-8,12-13,15,18,28H,4,9-11H2,1-3H3/t13-,15?,18?/m1/s1
InChIKeyBJJRZAMEAGVYJQ-MJJDPTRDSA-N
XLogP2.81
TPSA110.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-[4-(1-hydroxyethyl)-5-phenyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123669680
[(2R)-5-[4-(2-methoxy-2-methylpropyl)-5-phenyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 139565446
[(2R,5R)-2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 121314646
[(2R,5R)-5-[[3-[(1S)-1-hydroxypropyl]-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055212
[(2R,5R)-5-[[3-[(1R)-1-hydroxypropyl]-2-pyridinyl]oxy]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 87055211
[(2R,5R)-2-methyl-5-[[4-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]piperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone
CID 78324940
magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide
CID 158937271
methyl 4-methoxy-2-[(3R,6R)-6-methyl-1-[2-(tetrazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 118142221
ethyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]triazole-4-carboxylate
CID 121314194
[5-[5-[(2S)-2-hydroxybutan-2-yl]-1,2-oxazol-3-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 146157833
2-(2,2-difluoroethoxy)pyridine-3-carboxylic acid;[2-(2,2-difluoroethoxy)-3-pyridinyl]-[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]methanone
CID 160625303
[(2R,5R)-5-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpiperidin-1-yl]-[5-fluoro-2-(triazol-2-yl)phenyl]methanone
CID 78321968

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone (CID 144786973) is [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone is CCC(O)c1nc(C2CC[C@@H](C)N(C(=O)c3ccccc3-n3ncnn3)C2)oc1C.
What is the InChIKey of [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone?
The InChIKey is BJJRZAMEAGVYJQ-MJJDPTRDSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-4-18(28)19-14(3)30-20(24-19)15-10-9-13(2)26(11-15)21(29)16-7-5-6-8-17(16)27-23-12-22-25-27/h5-8,12-13,15,18,28H,4,9-11H2,1-3H3/t13-,15?,18?/m1/s1.
What are the key properties of [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone?
[(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone has a molecular weight of 410.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-[4-(1-hydroxypropyl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(tetrazol-2-yl)phenyl]methanone is sourced from PubChem (CID 144786973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).