N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide

C19H18N2O3 — CID 86930482

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C19H18N2O3/c1-12(23-15-5-3-2-4-6-15)18(22)20-14-9-10-17-16(11-14)21-19(24-17)13-7-8-13/h2-6,9-13H,7-8H2,1H3,(H,20,22)
InChIKeySKEIOODLHFZSHL-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.11
Rot. Bonds5

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide (PubChem CID 86930482) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
PubChem CID86930482
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C19H18N2O3/c1-12(23-15-5-3-2-4-6-15)18(22)20-14-9-10-17-16(11-14)21-19(24-17)13-7-8-13/h2-6,9-13H,7-8H2,1H3,(H,20,22)
InChIKeySKEIOODLHFZSHL-UHFFFAOYSA-N
XLogP4.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
(2S)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-phenoxypropanamide
CID 92869531
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide
CID 55620148
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
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672
(2S)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-phenylacetamide
CID 34336748
(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 25474142
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide
CID 46424456
(2S)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-phenoxypropanamide
CID 1098892
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide (CID 86930482) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide is CC(Oc1ccccc1)C(=O)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide?
The InChIKey is SKEIOODLHFZSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12(23-15-5-3-2-4-6-15)18(22)20-14-9-10-17-16(11-14)21-19(24-17)13-7-8-13/h2-6,9-13H,7-8H2,1H3,(H,20,22).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide has a molecular weight of 322.36 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide is sourced from PubChem (CID 86930482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).