N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide

C14H23N3O4 — CID 95190489

IUPACN-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C14H23N3O4/c1-2-10(9-18)15-14(20)13-7-12(21-16-13)8-17-5-3-11(19)4-6-17/h7,10-11,18-19H,2-6,8-9H2,1H3,(H,15,20)/t10-/m1/s1
InChIKeyDQVNLWBZRSLMAI-SNVBAGLBSA-N
MW297.36 g/mol
LogP0.13
Rot. Bonds6

About N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide

N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 95190489) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID95190489
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
SMILESCC[C@H](CO)NC(=O)c1cc(CN2CCC(O)CC2)on1
InChIInChI=1S/C14H23N3O4/c1-2-10(9-18)15-14(20)13-7-12(21-16-13)8-17-5-3-11(19)4-6-17/h7,10-11,18-19H,2-6,8-9H2,1H3,(H,15,20)/t10-/m1/s1
InChIKeyDQVNLWBZRSLMAI-SNVBAGLBSA-N
XLogP0.13
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(2-chlorophenyl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 95198420
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56705166
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1,3-thiazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56718229
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56700663
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95191686
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 95208087
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[1-(1-methylindol-3-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 56745348
5-[(4-hydroxypiperidin-1-yl)methyl]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 56716703
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
5-[(4-hydroxypiperidin-1-yl)methyl]-N,N-dipropyl-1,2-oxazole-3-carboxamide
CID 56744415
[4-(hydroxymethyl)piperidin-1-yl]-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methanone
CID 56740716
N-cyclopropyl-5-[(4-hydroxypiperidin-1-yl)methyl]-N-propyl-1,2-oxazole-3-carboxamide
CID 56754087

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide (CID 95190489) is N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide is CC[C@H](CO)NC(=O)c1cc(CN2CCC(O)CC2)on1.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is DQVNLWBZRSLMAI-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-2-10(9-18)15-14(20)13-7-12(21-16-13)8-17-5-3-11(19)4-6-17/h7,10-11,18-19H,2-6,8-9H2,1H3,(H,15,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide?
N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-5-[(4-hydroxypiperidin-1-yl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 95190489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).