N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

C20H30N4O3 — CID 118796076

IUPACN-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c1C
InChIInChI=1S/C20H30N4O3/c1-6-24-12(2)9-16(14(24)4)20(26)21-18-7-8-23(11-19(18)25)10-17-13(3)22-27-15(17)5/h9,18-19,25H,6-8,10-11H2,1-5H3,(H,21,26)/t18-,19-/m1/s1
InChIKeyDFGCQVQRIBHARW-RTBURBONSA-N
MW374.49 g/mol
LogP2.09
Rot. Bonds5

About N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide

N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (PubChem CID 118796076) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
PubChem CID118796076
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide
SMILESCCn1c(C)cc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c1C
InChIInChI=1S/C20H30N4O3/c1-6-24-12(2)9-16(14(24)4)20(26)21-18-7-8-23(11-19(18)25)10-17-13(3)22-27-15(17)5/h9,18-19,25H,6-8,10-11H2,1-5H3,(H,21,26)/t18-,19-/m1/s1
InChIKeyDFGCQVQRIBHARW-RTBURBONSA-N
XLogP2.09
TPSA83.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide with MolForge

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Related Compounds

4-chloro-N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 118778411
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 118768565
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]imidazo[1,2-a]pyridine-2-carboxamide
CID 118776243
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-(tetrazol-2-yl)acetamide
CID 118764750
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-4-pyrazol-1-ylbutanamide
CID 121496147
(3R,4R)-4-(cyclopentylamino)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-ol
CID 118781597
N-[(3S,4S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-2-pyridin-3-ylacetamide
CID 164632888
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-4-imidazol-1-ylbutanamide
CID 118789250
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-ol
CID 56828639
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpiperidin-4-ol
CID 114511165
2-chloro-N-[(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 98042041
2-chloro-N-[(3S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-3-yl]-4-fluorobenzamide
CID 98042040

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide (CID 118796076) is N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is CCn1c(C)cc(C(=O)N[C@@H]2CCN(Cc3c(C)noc3C)C[C@H]2O)c1C.
What is the InChIKey of N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
The InChIKey is DFGCQVQRIBHARW-RTBURBONSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-6-24-12(2)9-16(14(24)4)20(26)21-18-7-8-23(11-19(18)25)10-17-13(3)22-27-15(17)5/h9,18-19,25H,6-8,10-11H2,1-5H3,(H,21,26)/t18-,19-/m1/s1.
What are the key properties of N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide?
N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-hydroxypiperidin-4-yl]-1-ethyl-2,5-dimethylpyrrole-3-carboxamide is sourced from PubChem (CID 118796076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).