(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C14H16IN3O2 — CID 25350917

IUPAC(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Nc2ccc(C)c(I)c2)no1
InChIInChI=1S/C14H16IN3O2/c1-8-4-5-11(7-12(8)15)16-10(3)14(19)17-13-6-9(2)20-18-13/h4-7,10,16H,1-3H3,(H,17,18,19)/t10-/m1/s1
InChIKeyOIDKMKOVUWIIDD-SNVBAGLBSA-N
MW385.21 g/mol
LogP3.34
Rot. Bonds4

About (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide

(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 25350917) has the molecular formula C14H16IN3O2 and a molecular weight of 385.21 g/mol. Its IUPAC name is (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID25350917
Molecular FormulaC14H16IN3O2
Molecular Weight385.21 g/mol
Exact Mass385.03
IUPAC Name(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)[C@@H](C)Nc2ccc(C)c(I)c2)no1
InChIInChI=1S/C14H16IN3O2/c1-8-4-5-11(7-12(8)15)16-10(3)14(19)17-13-6-9(2)20-18-13/h4-7,10,16H,1-3H3,(H,17,18,19)/t10-/m1/s1
InChIKeyOIDKMKOVUWIIDD-SNVBAGLBSA-N
XLogP3.34
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-bromoanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40939515
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(methylsulfonylmethyl)anilino]propanamide
CID 95264542
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95299330
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
2-(3-iodo-4-methylanilino)-N-(2-methylpropyl)propanamide
CID 113219253
N-(3-iodo-4-methylphenyl)-2-(methylamino)propanamide
CID 62637660
(2R)-2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 41016115
2-[4-(2-methoxyphenoxy)anilino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 17396421
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 112507068
(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-methyl-N-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)sulfamoyl]propanamide
CID 110429064

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 25350917) is (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)Nc2ccc(C)c(I)c2)no1.
What is the InChIKey of (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is OIDKMKOVUWIIDD-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H16IN3O2/c1-8-4-5-11(7-12(8)15)16-10(3)14(19)17-13-6-9(2)20-18-13/h4-7,10,16H,1-3H3,(H,17,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
(2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 385.21 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-iodo-4-methylanilino)-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 25350917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).