4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide

C10H12N4O2 — CID 65487175

IUPAC4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCc1noc(NC(=O)c2cc(N)c[nH]2)c1C
InChIInChI=1S/C10H12N4O2/c1-5-6(2)14-16-10(5)13-9(15)8-3-7(11)4-12-8/h3-4,12H,11H2,1-2H3,(H,13,15)
InChIKeyNBVBZJWHKLTULB-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.45
Rot. Bonds2

About 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide

4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 65487175) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID65487175
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCc1noc(NC(=O)c2cc(N)c[nH]2)c1C
InChIInChI=1S/C10H12N4O2/c1-5-6(2)14-16-10(5)13-9(15)8-3-7(11)4-12-8/h3-4,12H,11H2,1-2H3,(H,13,15)
InChIKeyNBVBZJWHKLTULB-UHFFFAOYSA-N
XLogP1.45
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-indole-2-carboxamide
CID 65486031
5-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyrazine-2-carboxamide
CID 107375965
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylbenzamide
CID 65486415
6-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)pyridine-2-carboxamide
CID 65479587
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-5-methylsulfonylbenzamide
CID 65486795
4-amino-N-(1,2-oxazol-3-yl)-1H-pyrrole-2-carboxamide
CID 62903283
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-methylbenzamide
CID 65488700
2-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-methoxybenzamide
CID 115413411
4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 43643269
3-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)thiophene-2-carboxamide
CID 65488511
N-(3,4-dimethyl-1,2-oxazol-5-yl)-6-oxo-1H-pyridazine-3-carboxamide
CID 113248414
2-(4-aminophenyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpropanamide
CID 80556120

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide (CID 65487175) is 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide is Cc1noc(NC(=O)c2cc(N)c[nH]2)c1C.
What is the InChIKey of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is NBVBZJWHKLTULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-5-6(2)14-16-10(5)13-9(15)8-3-7(11)4-12-8/h3-4,12H,11H2,1-2H3,(H,13,15).
What are the key properties of 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide?
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 220.23 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65487175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).