N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

C12H13N3O2 — CID 104954922

IUPACN-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN)cc2)on1
InChIInChI=1S/C12H13N3O2/c1-8-6-11(17-15-8)12(16)14-10-4-2-9(7-13)3-5-10/h2-6H,7,13H2,1H3,(H,14,16)
InChIKeyNNSNJRFKJSUULT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.69
Rot. Bonds3

About N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 104954922) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID104954922
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC NameN-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(CN)cc2)on1
InChIInChI=1S/C12H13N3O2/c1-8-6-11(17-15-8)12(16)14-10-4-2-9(7-13)3-5-10/h2-6H,7,13H2,1H3,(H,14,16)
InChIKeyNNSNJRFKJSUULT-UHFFFAOYSA-N
XLogP1.69
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 75513517
N-[4-(3-aminoprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 54922392
3-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 106910483
2-methyl-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 120540971
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-(4-butoxyphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911364
3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911371
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60802743
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 104954922) is N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(CN)cc2)on1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is NNSNJRFKJSUULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-6-11(17-15-8)12(16)14-10-4-2-9(7-13)3-5-10/h2-6H,7,13H2,1H3,(H,14,16).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 231.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 104954922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).