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

C15H17N3O2 — CID 106910888

IUPACN-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CNC3CC3)c2)no1
InChIInChI=1S/C15H17N3O2/c1-10-7-14(18-20-10)15(19)17-13-4-2-3-11(8-13)9-16-12-5-6-12/h2-4,7-8,12,16H,5-6,9H2,1H3,(H,17,19)
InChIKeyDWMLWJJJIODCSC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.49
Rot. Bonds5

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

N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 106910888) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID106910888
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CNC3CC3)c2)no1
InChIInChI=1S/C15H17N3O2/c1-10-7-14(18-20-10)15(19)17-13-4-2-3-11(8-13)9-16-12-5-6-12/h2-4,7-8,12,16H,5-6,9H2,1H3,(H,17,19)
InChIKeyDWMLWJJJIODCSC-UHFFFAOYSA-N
XLogP2.49
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
CID 58725196
N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949
N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952
propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
CID 106911597
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
N-[4-(cyclopropylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51299884
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 30047747
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
5-methyl-N-[4-[(propan-2-ylamino)methyl]phenyl]-1,2-oxazole-3-carboxamide
CID 106910403

Frequently Asked Questions

What is the IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 106910888) is N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(CNC3CC3)c2)no1.
What is the InChIKey of N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is DWMLWJJJIODCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-7-14(18-20-10)15(19)17-13-4-2-3-11(8-13)9-16-12-5-6-12/h2-4,7-8,12,16H,5-6,9H2,1H3,(H,17,19).
What are the key properties of N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106910888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).