3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide

C14H13BrClN3O3 — CID 110420997

IUPAC3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCc1cc(NC(=O)C(C)NC(=O)c2cc(Cl)cc(Br)c2)no1
InChIInChI=1S/C14H13BrClN3O3/c1-7-3-12(19-22-7)18-13(20)8(2)17-14(21)9-4-10(15)6-11(16)5-9/h3-6,8H,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyLDSNGRAZJJWGGZ-UHFFFAOYSA-N
MW386.63 g/mol
LogP3.16
Rot. Bonds4

About 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide

3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide (PubChem CID 110420997) has the molecular formula C14H13BrClN3O3 and a molecular weight of 386.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide
PubChem CID110420997
Molecular FormulaC14H13BrClN3O3
Molecular Weight386.63 g/mol
Exact Mass384.98
IUPAC Name3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide
SMILESCc1cc(NC(=O)C(C)NC(=O)c2cc(Cl)cc(Br)c2)no1
InChIInChI=1S/C14H13BrClN3O3/c1-7-3-12(19-22-7)18-13(20)8(2)17-14(21)9-4-10(15)6-11(16)5-9/h3-6,8H,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyLDSNGRAZJJWGGZ-UHFFFAOYSA-N
XLogP3.16
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.63
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide with MolForge

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Related Compounds

(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507068
3-bromo-5-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 103826943
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
(2S)-2-amino-3-methyl-N-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]butanamide
CID 22689861
(2S)-2-[(2-aminoacetyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 22689772
3-bromo-5-chloro-N-[1-(2,5-dimethylfuran-3-yl)ethyl]benzamide
CID 107952277
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]propanoate
CID 7563517
3-bromo-N-(1-bromopropan-2-yl)-5-chlorobenzamide
CID 107941244
3-bromo-N-(4-bromobutan-2-yl)-5-chlorobenzamide
CID 107941338
3,5-dibromo-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103908193
3-bromo-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 74170896

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide (CID 110420997) is 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide is Cc1cc(NC(=O)C(C)NC(=O)c2cc(Cl)cc(Br)c2)no1.
What is the InChIKey of 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide?
The InChIKey is LDSNGRAZJJWGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O3/c1-7-3-12(19-22-7)18-13(20)8(2)17-14(21)9-4-10(15)6-11(16)5-9/h3-6,8H,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide?
3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide has a molecular weight of 386.63 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 110420997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).