(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide

C18H21N5O2 — CID 97202176

IUPAC(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide
SMILESCc1nccn1[C@H](C)CC(=O)N(C)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C18H21N5O2/c1-13(23-9-8-20-14(23)2)10-18(24)22(3)12-16-11-17(21-25-16)15-4-6-19-7-5-15/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
InChIKeyJHNDFFAAOIWQEJ-CYBMUJFWSA-N
MW339.40 g/mol
LogP2.85
Rot. Bonds6

About (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide

(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide (PubChem CID 97202176) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide
PubChem CID97202176
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide
SMILESCc1nccn1[C@H](C)CC(=O)N(C)Cc1cc(-c2ccncc2)no1
InChIInChI=1S/C18H21N5O2/c1-13(23-9-8-20-14(23)2)10-18(24)22(3)12-16-11-17(21-25-16)15-4-6-19-7-5-15/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1
InChIKeyJHNDFFAAOIWQEJ-CYBMUJFWSA-N
XLogP2.85
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 97204137
2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 72888940
1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
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1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 124756945
1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
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2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide
CID 91762349
N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
3-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-methyl-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 125442424
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70786653
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide?
The IUPAC name of (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide (CID 97202176) is (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide.
What is the SMILES notation for (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide?
The canonical SMILES for (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide is Cc1nccn1[C@H](C)CC(=O)N(C)Cc1cc(-c2ccncc2)no1.
What is the InChIKey of (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide?
The InChIKey is JHNDFFAAOIWQEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-13(23-9-8-20-14(23)2)10-18(24)22(3)12-16-11-17(21-25-16)15-4-6-19-7-5-15/h4-9,11,13H,10,12H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide?
(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide has a molecular weight of 339.40 g/mol, XLogP of 2.85, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide is sourced from PubChem (CID 97202176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).