N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

C13H14N4O3 — CID 15871088

IUPACN-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)CN)cc1
InChIInChI=1S/C13H14N4O3/c1-8-11(7-15-20-8)13(19)17-10-4-2-9(3-5-10)16-12(18)6-14/h2-5,7H,6,14H2,1H3,(H,16,18)(H,17,19)
InChIKeyIHWAQWWUMVUSBP-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.13
Rot. Bonds4

About N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide

N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 15871088) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID15871088
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1oncc1C(=O)Nc1ccc(NC(=O)CN)cc1
InChIInChI=1S/C13H14N4O3/c1-8-11(7-15-20-8)13(19)17-10-4-2-9(3-5-10)16-12(18)6-14/h2-5,7H,6,14H2,1H3,(H,16,18)(H,17,19)
InChIKeyIHWAQWWUMVUSBP-UHFFFAOYSA-N
XLogP1.13
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
N-(4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 850525
ethane;5-methyl-N-phenyl-1,2-oxazole-4-carboxamide;propane
CID 91575161
5-(113C)methyl-N-[4-(trifluoromethyl)phenyl]-(4,5-13C2)1,2-oxazole-4-carboxamide
CID 10869480
N-[4-[[(2S)-2-amino-3-methylbutanoyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 119300729
5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43409696
5-methyl-N-[4-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]-1,2-oxazole-4-carboxamide
CID 71806329
N-[4-[[2-(2,5-dimethylphenoxy)acetyl]amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51120703
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
N-(3-chloro-4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64788102
2-chloro-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoic acid
CID 19439718

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 15871088) is N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)Nc1ccc(NC(=O)CN)cc1.
What is the InChIKey of N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IHWAQWWUMVUSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-8-11(7-15-20-8)13(19)17-10-4-2-9(3-5-10)16-12(18)6-14/h2-5,7H,6,14H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide?
N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-aminoacetyl)amino]phenyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 15871088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).