[(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate

C19H17BrN2O3 — CID 59074061

IUPAC[(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
SMILESCc1onc(-c2ccccc2)c1NC(=O)O[C@H](C)c1ccccc1Br
InChIInChI=1S/C19H17BrN2O3/c1-12(15-10-6-7-11-16(15)20)24-19(23)21-17-13(2)25-22-18(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyLYZSCIMLYUSNKB-GFCCVEGCSA-N
MW401.26 g/mol
LogP5.72
Rot. Bonds4

About [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate

[(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate (PubChem CID 59074061) has the molecular formula C19H17BrN2O3 and a molecular weight of 401.26 g/mol. Its IUPAC name is [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate.

Molecular Properties

Compound Name[(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
PubChem CID59074061
Molecular FormulaC19H17BrN2O3
Molecular Weight401.26 g/mol
Exact Mass400.04
IUPAC Name[(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate
SMILESCc1onc(-c2ccccc2)c1NC(=O)O[C@H](C)c1ccccc1Br
InChIInChI=1S/C19H17BrN2O3/c1-12(15-10-6-7-11-16(15)20)24-19(23)21-17-13(2)25-22-18(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,23)/t12-/m1/s1
InChIKeyLYZSCIMLYUSNKB-GFCCVEGCSA-N
XLogP5.72
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.26
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]phenyl]propanoic acid
CID 50923402
3-[3-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]benzoic acid
CID 50924094
2-[4-[4-[4-[1-(2-fluorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]phenyl]acetic acid
CID 66964029
1-[4-[4-[4-[1-(2-bromophenyl)ethoxycarbonylamino]-3-methyl-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 118051716
1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630
2-[4-[[4-[4-[1-(2-chlorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]methylsulfanyl]phenyl]acetic acid
CID 50923948
[(1R)-1-phenylethyl] N-[3-(4-bromo-2,5-difluorophenyl)-5-methyl-1,2-oxazol-4-yl]carbamate
CID 90299223
ethyl 2-[4-[4-[4-[[(1R)-1-(2-fluorophenyl)ethoxy]carbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]sulfanylphenyl]acetate
CID 66963987
methyl 2-[5-[4-[4-[1-(2-fluorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]tetrazol-2-yl]acetate
CID 77212378
2-[4-[4-[4-[1-(2,6-dichlorophenyl)ethoxycarbonylamino]-5-methyl-1,2-oxazol-3-yl]phenyl]phenyl]acetic acid
CID 50923684
[(1R)-1-(2-cyanophenyl)ethyl] N-[3-methyl-5-(4-phenylphenyl)-1,2-oxazol-4-yl]carbamate
CID 141284386
1-benzyl-3-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1-propan-2-ylurea
CID 2814460

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate?
The IUPAC name of [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate (CID 59074061) is [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate.
What is the SMILES notation for [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate?
The canonical SMILES for [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate is Cc1onc(-c2ccccc2)c1NC(=O)O[C@H](C)c1ccccc1Br.
What is the InChIKey of [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate?
The InChIKey is LYZSCIMLYUSNKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H17BrN2O3/c1-12(15-10-6-7-11-16(15)20)24-19(23)21-17-13(2)25-22-18(17)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,21,23)/t12-/m1/s1.
What are the key properties of [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate?
[(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate has a molecular weight of 401.26 g/mol, XLogP of 5.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(2-bromophenyl)ethyl] N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)carbamate is sourced from PubChem (CID 59074061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).