1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide

C19H22N4O2 — CID 91762349

IUPAC1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn(C(C)(C)C)c1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)23-10-7-15(12-23)18(24)22(4)13-16-11-17(21-25-16)14-5-8-20-9-6-14/h5-12H,13H2,1-4H3
InChIKeyNNGBSLWFHICJJS-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.57
Rot. Bonds4

About 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide

1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide (PubChem CID 91762349) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide
PubChem CID91762349
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide
SMILESCN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn(C(C)(C)C)c1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)23-10-7-15(12-23)18(24)22(4)13-16-11-17(21-25-16)14-5-8-20-9-6-14/h5-12H,13H2,1-4H3
InChIKeyNNGBSLWFHICJJS-UHFFFAOYSA-N
XLogP3.57
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-pyrazol-1-yl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]benzamide
CID 131898307
2-ethyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrimidine-5-carboxamide
CID 70757281
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 70771738
N-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-2-pyridin-4-ylpyrimidine-5-carboxamide
CID 72902762
N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 70786653
1-(difluoromethyl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 72837401
1-methyl-3-(2-methylbutyl)-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 119060814
N,1-dimethyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
CID 70777582
1-methyl-3-[(2R)-2-methylbutyl]-1-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]urea
CID 126427845
2-(4-chloro-3-methylpyrazol-1-yl)-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]acetamide
CID 72888940
(2R)-N-methyl-2-(2-propan-2-ylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]propanamide
CID 97204137
(3R)-N-methyl-3-(2-methylimidazol-1-yl)-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]butanamide
CID 97202176

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide (CID 91762349) is 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide is CN(Cc1cc(-c2ccncc2)no1)C(=O)c1ccn(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is NNGBSLWFHICJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,3)23-10-7-15(12-23)18(24)22(4)13-16-11-17(21-25-16)14-5-8-20-9-6-14/h5-12H,13H2,1-4H3.
What are the key properties of 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide?
1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methyl-N-[(3-pyridin-4-yl-1,2-oxazol-5-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 91762349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).