(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

C17H15BrN2O3 — CID 25474142

IUPAC(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)ccc2o1
InChIInChI=1S/C17H15BrN2O3/c1-10(22-14-6-3-12(18)4-7-14)17(21)20-13-5-8-16-15(9-13)19-11(2)23-16/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyNALMUDPETABBGD-SNVBAGLBSA-N
MW375.22 g/mol
LogP4.30
Rot. Bonds4

About (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide

(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 25474142) has the molecular formula C17H15BrN2O3 and a molecular weight of 375.22 g/mol. Its IUPAC name is (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID25474142
Molecular FormulaC17H15BrN2O3
Molecular Weight375.22 g/mol
Exact Mass374.03
IUPAC Name(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)ccc2o1
InChIInChI=1S/C17H15BrN2O3/c1-10(22-14-6-3-12(18)4-7-14)17(21)20-13-5-8-16-15(9-13)19-11(2)23-16/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1
InChIKeyNALMUDPETABBGD-SNVBAGLBSA-N
XLogP4.30
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 107903105
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61274155
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 55821367
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 26684004
(2S)-2-amino-3-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide
CID 61274361
2-(4-methylphenoxy)-N-(2-phenyl-1,3-benzoxazol-5-yl)propanamide
CID 118259636
(2R)-N-(4-methoxyphenyl)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 25349306
N-(4-bromophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2789595
(2S)-2-(4-bromophenoxy)-N-(4-methoxyphenyl)propanamide
CID 7899999
(2R)-N-(4-acetamidophenyl)-2-(4-bromophenoxy)propanamide
CID 7731961
3-amino-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)butanamide;dihydrochloride
CID 120502568
(2R)-N-(2-methyl-1,3-benzoxazol-5-yl)-2-phenoxybutanamide
CID 30035442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 25474142) is (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is Cc1nc2cc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)ccc2o1.
What is the InChIKey of (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is NALMUDPETABBGD-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15BrN2O3/c1-10(22-14-6-3-12(18)4-7-14)17(21)20-13-5-8-16-15(9-13)19-11(2)23-16/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
(2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 375.22 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenoxy)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 25474142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).