(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H14BrN3O2 — CID 40939515

IUPAC(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)Nc2ccc(Br)cc2)no1
InChIInChI=1S/C13H14BrN3O2/c1-8-7-12(17-19-8)16-13(18)9(2)15-11-5-3-10(14)4-6-11/h3-7,9,15H,1-2H3,(H,16,17,18)/t9-/m0/s1
InChIKeyHHASVLWMJKYQDM-VIFPVBQESA-N
MW324.18 g/mol
LogP3.18
Rot. Bonds4

About (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 40939515) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID40939515
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC Name(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@H](C)Nc2ccc(Br)cc2)no1
InChIInChI=1S/C13H14BrN3O2/c1-8-7-12(17-19-8)16-13(18)9(2)15-11-5-3-10(14)4-6-11/h3-7,9,15H,1-2H3,(H,16,17,18)/t9-/m0/s1
InChIKeyHHASVLWMJKYQDM-VIFPVBQESA-N
XLogP3.18
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 25350917
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide
CID 95264542
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17396421
(2R)-2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41016115
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95299330
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507068
(2R)-2-(4-bromo-2-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 41016042
3-bromo-5-chloro-N-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]benzamide
CID 110420997
(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
2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-5-carboxamide
CID 109269397

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 40939515) is (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@H](C)Nc2ccc(Br)cc2)no1.
What is the InChIKey of (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is HHASVLWMJKYQDM-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8-7-12(17-19-8)16-13(18)9(2)15-11-5-3-10(14)4-6-11/h3-7,9,15H,1-2H3,(H,16,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 324.18 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 40939515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).