N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C17H29N3O3 — CID 70771893

IUPACN-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC(O)CN2CCCCCC2)on1
InChIInChI=1S/C17H29N3O3/c1-13(2)9-14-10-16(23-19-14)17(22)18-11-15(21)12-20-7-5-3-4-6-8-20/h10,13,15,21H,3-9,11-12H2,1-2H3,(H,18,22)
InChIKeySHRNDEBHEUMZOD-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.84
Rot. Bonds7

About N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 70771893) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID70771893
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC NameN-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCC(O)CN2CCCCCC2)on1
InChIInChI=1S/C17H29N3O3/c1-13(2)9-14-10-16(23-19-14)17(22)18-11-15(21)12-20-7-5-3-4-6-8-20/h10,13,15,21H,3-9,11-12H2,1-2H3,(H,18,22)
InChIKeySHRNDEBHEUMZOD-UHFFFAOYSA-N
XLogP1.84
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(5-hexyl-1,2-oxazol-3-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164613373
(2R)-N-[(3-butyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164615120
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[(3-pentyl-1,2-oxazol-5-yl)methyl]butanamide
CID 164623436
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[2-(3-pentyl-1,2-oxazol-5-yl)ethyl]butanamide
CID 164610794
(2R)-N-[(3-hexyl-1,2-oxazol-5-yl)methyl]-2,4-dihydroxy-3,3-dimethylbutanamide
CID 164622759
3-propan-2-yl-N-[[(3S)-pyrrolidin-3-yl]methyl]-1,2-oxazole-5-carboxamide
CID 153635940
N-[[(3R)-1-(3,3-dimethylbutyl)pyrrolidin-3-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 153635953
(3S,14R,16S)-16-[(1R)-2-[[(1S)-1-[5-(2,2-dimethylpropyl)-1,2-oxazol-3-yl]ethyl]amino]-1-hydroxyethyl]-3,4,14-trimethyl-1,4-diazacyclohexadecane-2,5-dione
CID 166612070
N-((1r,4r)-4-(3-amino-2-hydroxypropanamido) cyclohexyl)-5-cyclopropylisoxazole-3-carboxamide
CID 132231663
N-{2-[2-(hydroxymethyl)-1-piperidinyl]ethyl}-3-isopropyl-5-isoxazolecarboxamide
CID 70734334
4-({1-[(3-Isobutyl-5-isoxazolyl)carbonyl]-4-piperidinyl}carbonyl)morpholine
CID 70736513
N-[2-(1-azepanyl)-1,1-dimethylethyl]-3-isobutyl-5-isoxazolecarboxamide
CID 70765436

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 70771893) is N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)NCC(O)CN2CCCCCC2)on1.
What is the InChIKey of N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is SHRNDEBHEUMZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O3/c1-13(2)9-14-10-16(23-19-14)17(22)18-11-15(21)12-20-7-5-3-4-6-8-20/h10,13,15,21H,3-9,11-12H2,1-2H3,(H,18,22).
What are the key properties of N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)-2-hydroxypropyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 70771893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).