N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide

C16H15N3O3S — CID 138051232

IUPACN-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)N(c2nc3ccccc3o2)C2CC2)cs1
InChIInChI=1S/C16H15N3O3S/c1-21-8-14-17-12(9-23-14)15(20)19(10-6-7-10)16-18-11-4-2-3-5-13(11)22-16/h2-5,9-10H,6-8H2,1H3
InChIKeyPXOXSAJOFCTTNX-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.24
Rot. Bonds5

About N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide

N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide (PubChem CID 138051232) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
PubChem CID138051232
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC NameN-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide
SMILESCOCc1nc(C(=O)N(c2nc3ccccc3o2)C2CC2)cs1
InChIInChI=1S/C16H15N3O3S/c1-21-8-14-17-12(9-23-14)15(20)19(10-6-7-10)16-18-11-4-2-3-5-13(11)22-16/h2-5,9-10H,6-8H2,1H3
InChIKeyPXOXSAJOFCTTNX-UHFFFAOYSA-N
XLogP3.24
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-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

(2S)-3-[benzyl-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 97324026
methyl 2-[(2-benzyl-1,3-thiazole-4-carbonyl)-cyclobutylamino]benzoate
CID 86792151
N-(4-anilinophenyl)-2-(methoxymethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 86847591
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(3S)-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 95898986
2-(methoxymethyl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 48591350
[2-[1,3-benzothiazol-2-yl(ethyl)amino]-2-oxoethyl] 2-(methoxymethyl)-1,3-thiazole-4-carboxylate
CID 48703152
2-[cyclopropyl-[2-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carbonyl]amino]propanoic acid
CID 119203417
[2-(methoxymethyl)-1,3-thiazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 95174920
[2-(methoxymethyl)-1,3-thiazol-4-yl]-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 47426042
[2-(1,3-benzoxazol-2-yl)piperidin-1-yl]-[2-(2-methylpropyl)-1,3-thiazol-4-yl]methanone
CID 127483479
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-2-(methoxymethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 75417508
1-[1,3-benzoxazol-2-yl(methyl)amino]-3-methoxypropan-2-ol
CID 54979252

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide (CID 138051232) is N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide is COCc1nc(C(=O)N(c2nc3ccccc3o2)C2CC2)cs1.
What is the InChIKey of N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PXOXSAJOFCTTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-8-14-17-12(9-23-14)15(20)19(10-6-7-10)16-18-11-4-2-3-5-13(11)22-16/h2-5,9-10H,6-8H2,1H3.
What are the key properties of N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide?
N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 329.38 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-2-yl)-N-cyclopropyl-2-(methoxymethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 138051232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).