N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

C13H21N3O3 — CID 95730410

IUPACN-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC[C@@]2(O)CCNC2)on1
InChIInChI=1S/C13H21N3O3/c1-9(2)5-10-6-11(19-16-10)12(17)15-8-13(18)3-4-14-7-13/h6,9,14,18H,3-5,7-8H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyAEFCTRFTEKUWGE-CYBMUJFWSA-N
MW267.33 g/mol
LogP0.33
Rot. Bonds5

About N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide

N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (PubChem CID 95730410) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
PubChem CID95730410
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)Cc1cc(C(=O)NC[C@@]2(O)CCNC2)on1
InChIInChI=1S/C13H21N3O3/c1-9(2)5-10-6-11(19-16-10)12(17)15-8-13(18)3-4-14-7-13/h6,9,14,18H,3-5,7-8H2,1-2H3,(H,15,17)/t13-/m1/s1
InChIKeyAEFCTRFTEKUWGE-CYBMUJFWSA-N
XLogP0.33
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-hydroxypyrrolidin-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 114760777
3-butan-2-yl-N-[(1-hydroxycycloheptyl)methyl]-1,2-oxazole-5-carboxamide
CID 111459570
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2,4-dimethylbenzamide
CID 114760620
3-methyl-N-[(3-methylpiperidin-3-yl)methyl]-1,2-oxazole-5-carboxamide
CID 113400462
N-[(1-hydroxycyclobutyl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111539650
2,3,4,5,6-pentafluoro-N-[(3-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 114760608
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70764788
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-(2,4,5-trimethylphenyl)benzamide
CID 119059858
N-[(3-hydroxypyrrolidin-3-yl)methyl]-4-methylsulfonylbenzamide
CID 114760745
4-(4,6-dimethoxypyrimidin-2-yl)-N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]benzamide
CID 126441939
N-[(4-hydroxythian-4-yl)methyl]-3-pentan-3-yl-1,2-oxazole-5-carboxamide
CID 111484714
5-cyclopropyl-N-[(4-hydroxypiperidin-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 130188168

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide (CID 95730410) is N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is CC(C)Cc1cc(C(=O)NC[C@@]2(O)CCNC2)on1.
What is the InChIKey of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
The InChIKey is AEFCTRFTEKUWGE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)5-10-6-11(19-16-10)12(17)15-8-13(18)3-4-14-7-13/h6,9,14,18H,3-5,7-8H2,1-2H3,(H,15,17)/t13-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide?
N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 95730410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).