2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid

C15H20N4O4 — CID 120517205

IUPAC2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid
SMILESCc1cnn(Cc2cc(C(=O)N(CC(=O)O)CC(C)C)no2)c1
InChIInChI=1S/C15H20N4O4/c1-10(2)6-18(9-14(20)21)15(22)13-4-12(23-17-13)8-19-7-11(3)5-16-19/h4-5,7,10H,6,8-9H2,1-3H3,(H,20,21)
InChIKeySBRRBLBFYKYFGB-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.41
Rot. Bonds7

About 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid

2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid (PubChem CID 120517205) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid
PubChem CID120517205
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid
SMILESCc1cnn(Cc2cc(C(=O)N(CC(=O)O)CC(C)C)no2)c1
InChIInChI=1S/C15H20N4O4/c1-10(2)6-18(9-14(20)21)15(22)13-4-12(23-17-13)8-19-7-11(3)5-16-19/h4-5,7,10H,6,8-9H2,1-3H3,(H,20,21)
InChIKeySBRRBLBFYKYFGB-UHFFFAOYSA-N
XLogP1.41
TPSA101.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63579229
N-(3-hydroxybutyl)-5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carboxamide
CID 109476379
2-[(5-methyl-1,2-oxazole-4-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63071857
2-methyl-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120518510
2-[(4-methyl-1,2-oxazole-5-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 66335852
N-ethyl-5-[(4-methylpyrazol-1-yl)methyl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 136517757
3-methyl-5-[(4-methylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 60873481
4-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120524527
5-[(4-bromopyrazol-1-yl)methyl]-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-3-carboxamide
CID 109468124
2-methyl-N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-1-amine
CID 62446699
4-[(2-methylpropan-2-yl)oxy]-2-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 120533690
N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449283

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid (CID 120517205) is 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid is Cc1cnn(Cc2cc(C(=O)N(CC(=O)O)CC(C)C)no2)c1.
What is the InChIKey of 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid?
The InChIKey is SBRRBLBFYKYFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-10(2)6-18(9-14(20)21)15(22)13-4-12(23-17-13)8-19-7-11(3)5-16-19/h4-5,7,10H,6,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid?
2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid has a molecular weight of 320.35 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazole-3-carbonyl]amino]acetic acid is sourced from PubChem (CID 120517205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).