(2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide

C19H24BrN3O3 — CID 97065869

IUPAC(2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide
SMILESCc1noc(C)c1C[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1
InChIInChI=1S/C19H24BrN3O3/c1-12(9-17-13(2)22-26-14(17)3)21-19(24)23-7-8-25-18(11-23)15-5-4-6-16(20)10-15/h4-6,10,12,18H,7-9,11H2,1-3H3,(H,21,24)/t12-,18-/m1/s1
InChIKeyUSYXUDUGSSBWGI-KZULUSFZSA-N
MW422.32 g/mol
LogP3.77
Rot. Bonds4

About (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide

(2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide (PubChem CID 97065869) has the molecular formula C19H24BrN3O3 and a molecular weight of 422.32 g/mol. Its IUPAC name is (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide
PubChem CID97065869
Molecular FormulaC19H24BrN3O3
Molecular Weight422.32 g/mol
Exact Mass421.10
IUPAC Name(2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide
SMILESCc1noc(C)c1C[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1
InChIInChI=1S/C19H24BrN3O3/c1-12(9-17-13(2)22-26-14(17)3)21-19(24)23-7-8-25-18(11-23)15-5-4-6-16(20)10-15/h4-6,10,12,18H,7-9,11H2,1-3H3,(H,21,24)/t12-,18-/m1/s1
InChIKeyUSYXUDUGSSBWGI-KZULUSFZSA-N
XLogP3.77
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide
CID 97065868
2-(3-bromophenyl)-N,N-diethylmorpholine-4-carboxamide
CID 110364441
(2S)-2-amino-1-[(2S)-2-(3-bromophenyl)morpholin-4-yl]-3-methylbutan-1-one
CID 99702196
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
(2S)-2-(3-bromophenyl)-N-[(1-methylpyrazol-4-yl)methyl]morpholine-4-carboxamide
CID 52516717
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]pentan-1-one;hydrochloride
CID 86779755
2-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 120667995
1-[2-(3-bromophenyl)morpholin-4-yl]-2-(2-methoxyethylamino)ethanone
CID 119757105
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-4,4-dimethylazepane-1-carboxamide
CID 71868178
[2-(3-bromophenyl)morpholin-4-yl]-(furan-2-yl)methanone
CID 110364402
(3S,4S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122003063
4-amino-1-[2-(3-bromophenyl)morpholin-4-yl]-3-methoxybutan-1-one;hydrochloride
CID 120590693

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide (CID 97065869) is (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide is Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCO[C@@H](c2cccc(Br)c2)C1.
What is the InChIKey of (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is USYXUDUGSSBWGI-KZULUSFZSA-N. The full InChI is InChI=1S/C19H24BrN3O3/c1-12(9-17-13(2)22-26-14(17)3)21-19(24)23-7-8-25-18(11-23)15-5-4-6-16(20)10-15/h4-6,10,12,18H,7-9,11H2,1-3H3,(H,21,24)/t12-,18-/m1/s1.
What are the key properties of (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide?
(2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide has a molecular weight of 422.32 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-bromophenyl)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 97065869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).