N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide

C25H21N3O3 — CID 55620148

IUPACN-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide
SMILESO=C(NC(C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N3O3/c29-23(17-9-5-2-6-10-17)28-22(16-7-3-1-4-8-16)24(30)26-19-13-14-21-20(15-19)27-25(31-21)18-11-12-18/h1-10,13-15,18,22H,11-12H2,(H,26,30)(H,28,29)
InChIKeyARDXZNSKHJCRDD-UHFFFAOYSA-N
MW411.46 g/mol
LogP4.82
Rot. Bonds6

About N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide

N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide (PubChem CID 55620148) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide.

Molecular Properties

Compound NameN-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide
PubChem CID55620148
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC NameN-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide
SMILESO=C(NC(C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H21N3O3/c29-23(17-9-5-2-6-10-17)28-22(16-7-3-1-4-8-16)24(30)26-19-13-14-21-20(15-19)27-25(31-21)18-11-12-18/h1-10,13-15,18,22H,11-12H2,(H,26,30)(H,28,29)
InChIKeyARDXZNSKHJCRDD-UHFFFAOYSA-N
XLogP4.82
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide
CID 34336748
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
CID 86930482
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 115352566
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
CID 47924751
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
CID 104683893
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 46424527
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 46416202

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide?
The IUPAC name of N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide (CID 55620148) is N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide.
What is the SMILES notation for N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide?
The canonical SMILES for N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide is O=C(NC(C(=O)Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1)c1ccccc1.
What is the InChIKey of N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide?
The InChIKey is ARDXZNSKHJCRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-23(17-9-5-2-6-10-17)28-22(16-7-3-1-4-8-16)24(30)26-19-13-14-21-20(15-19)27-25(31-21)18-11-12-18/h1-10,13-15,18,22H,11-12H2,(H,26,30)(H,28,29).
What are the key properties of N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide?
N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide has a molecular weight of 411.46 g/mol, XLogP of 4.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide is sourced from PubChem (CID 55620148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).