2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid

C14H13N3O4 — CID 119213726

IUPAC2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C14H13N3O4/c18-13(16-12(14(19)20)8-3-4-8)10-6-11(21-17-10)9-2-1-5-15-7-9/h1-2,5-8,12H,3-4H2,(H,16,18)(H,19,20)
InChIKeyXDVKFVXKRDZCDJ-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.33
Rot. Bonds5

About 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid

2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid (PubChem CID 119213726) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
PubChem CID119213726
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)c1cc(-c2cccnc2)on1
InChIInChI=1S/C14H13N3O4/c18-13(16-12(14(19)20)8-3-4-8)10-6-11(21-17-10)9-2-1-5-15-7-9/h1-2,5-8,12H,3-4H2,(H,16,18)(H,19,20)
InChIKeyXDVKFVXKRDZCDJ-UHFFFAOYSA-N
XLogP1.33
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-3-yl)-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 120547632
2-cyclopropyl-2-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]acetic acid
CID 62695945
2-[[5-(2-chlorophenyl)-1,2-oxazole-3-carbonyl]amino]-2-cyclopropylacetic acid
CID 119213207
N-(4-anilinophenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 47048043
N-[oxan-4-yl(thiophen-2-yl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 134161833
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119458588
3-cyclopropyl-3-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]propanoic acid
CID 75429233
2-cyclopropyl-2-(pyrazine-2-carbonylamino)acetic acid
CID 62695126
N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 48500589
N-(2-cyclopropyl-2-hydroxyethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 63295331
N-(2-chloro-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 17253103

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid (CID 119213726) is 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)c1cc(-c2cccnc2)on1.
What is the InChIKey of 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
The InChIKey is XDVKFVXKRDZCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(16-12(14(19)20)8-3-4-8)10-6-11(21-17-10)9-2-1-5-15-7-9/h1-2,5-8,12H,3-4H2,(H,16,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid?
2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid has a molecular weight of 287.27 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(5-pyridin-3-yl-1,2-oxazole-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 119213726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).