3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole

C16H25N5O — CID 129487442

IUPAC3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC[C@@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C16H25N5O/c1-10(2)15-17-16(19-18-15)14-7-5-6-8-21(14)9-13-11(3)20-22-12(13)4/h10,14H,5-9H2,1-4H3,(H,17,18,19)/t14-/m1/s1
InChIKeyLZRPCTBKBSGRMV-CQSZACIVSA-N
MW303.41 g/mol
LogP3.26
Rot. Bonds4

About 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole

3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 129487442) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID129487442
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1noc(C)c1CN1CCCC[C@@H]1c1nc(C(C)C)n[nH]1
InChIInChI=1S/C16H25N5O/c1-10(2)15-17-16(19-18-15)14-7-5-6-8-21(14)9-13-11(3)20-22-12(13)4/h10,14H,5-9H2,1-4H3,(H,17,18,19)/t14-/m1/s1
InChIKeyLZRPCTBKBSGRMV-CQSZACIVSA-N
XLogP3.26
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

5-methyl-4-[[(2S)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129492290
3,5-dimethyl-4-[[(2R)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 129398428
4-[[(2S)-2-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 129487434
3,5-dimethyl-4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]sulfonyl-1,2-oxazole
CID 87052089
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916117
4-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 94616382
5-cyclopropyl-3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154749204
3,5-dimethyl-4-[(2-pyrrolidin-2-ylpiperidin-1-yl)methyl]-1,2-oxazole
CID 63256393
3-methyl-5-[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1,2,4-thiadiazole
CID 125143240
5-[(2R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]-3-pyridin-3-yl-1,2,4-oxadiazole
CID 95110503
3-cyclopentyl-2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949935
N-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-2-yl]methyl]propan-1-amine
CID 63847662

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole (CID 129487442) is 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is Cc1noc(C)c1CN1CCCC[C@@H]1c1nc(C(C)C)n[nH]1.
What is the InChIKey of 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is LZRPCTBKBSGRMV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H25N5O/c1-10(2)15-17-16(19-18-15)14-7-5-6-8-21(14)9-13-11(3)20-22-12(13)4/h10,14H,5-9H2,1-4H3,(H,17,18,19)/t14-/m1/s1.
What are the key properties of 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 303.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[(2R)-2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 129487442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).