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

C19H24BrN3O3 — CID 97065868

IUPAC(2R)-2-(3-bromophenyl)-N-[(2S)-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-/m0/s1
InChIKeyUSYXUDUGSSBWGI-SGTLLEGYSA-N
MW422.32 g/mol
LogP3.77
Rot. Bonds4

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

(2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide (PubChem CID 97065868) has the molecular formula C19H24BrN3O3 and a molecular weight of 422.32 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide
PubChem CID97065868
Molecular FormulaC19H24BrN3O3
Molecular Weight422.32 g/mol
Exact Mass421.10
IUPAC Name(2R)-2-(3-bromophenyl)-N-[(2S)-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-/m0/s1
InChIKeyUSYXUDUGSSBWGI-SGTLLEGYSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide?
The IUPAC name of (2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide (CID 97065868) is (2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for (2R)-2-(3-bromophenyl)-N-[(2S)-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 (2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide?
The InChIKey is USYXUDUGSSBWGI-SGTLLEGYSA-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-/m0/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide?
(2R)-2-(3-bromophenyl)-N-[(2S)-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 (2R)-2-(3-bromophenyl)-N-[(2S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 97065868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).