2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid

C16H17N5O4 — CID 119230593

IUPAC2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1cc(-n2c(C)cc(C(=O)Nc3ccn(CC(=O)O)n3)c2C)no1
InChIInChI=1S/C16H17N5O4/c1-9-6-12(11(3)21(9)14-7-10(2)25-19-14)16(24)17-13-4-5-20(18-13)8-15(22)23/h4-7H,8H2,1-3H3,(H,22,23)(H,17,18,24)
InChIKeyBCSQOLPEOCRWFA-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.92
Rot. Bonds5

About 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid

2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid (PubChem CID 119230593) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
PubChem CID119230593
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid
SMILESCc1cc(-n2c(C)cc(C(=O)Nc3ccn(CC(=O)O)n3)c2C)no1
InChIInChI=1S/C16H17N5O4/c1-9-6-12(11(3)21(9)14-7-10(2)25-19-14)16(24)17-13-4-5-20(18-13)8-15(22)23/h4-7H,8H2,1-3H3,(H,22,23)(H,17,18,24)
InChIKeyBCSQOLPEOCRWFA-UHFFFAOYSA-N
XLogP1.92
TPSA115.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid with MolForge

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Related Compounds

2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]phenoxy]acetic acid
CID 75417918
3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]-2-methyl-3-phenylpropanoic acid
CID 119218690
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide
CID 32580386
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-(1-phenylbutyl)pyrrole-3-carboxamide
CID 112811994
2,5-dimethyl-N-(2-methylbutan-2-yl)-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 86930292
2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120702759
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-3-carboxamide
CID 146085521
2-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]-2-phenylbutanoic acid
CID 119201733
1-[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819803
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-[2-methyl-4-(thiomorpholin-4-ylmethyl)phenyl]pyrrole-3-carboxamide
CID 166181839
N-[[4-(dimethylamino)phenyl]methyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide
CID 30186519
N-[(2R)-2-(ethylamino)propyl]-2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carboxamide;hydrochloride
CID 120650270

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid (CID 119230593) is 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid is Cc1cc(-n2c(C)cc(C(=O)Nc3ccn(CC(=O)O)n3)c2C)no1.
What is the InChIKey of 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
The InChIKey is BCSQOLPEOCRWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-9-6-12(11(3)21(9)14-7-10(2)25-19-14)16(24)17-13-4-5-20(18-13)8-15(22)23/h4-7H,8H2,1-3H3,(H,22,23)(H,17,18,24).
What are the key properties of 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid?
2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid has a molecular weight of 343.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrole-3-carbonyl]amino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119230593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).