N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide

C14H17N3O4S — CID 47924751

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C14H17N3O4S/c1-8(17-22(2,19)20)13(18)15-10-5-6-12-11(7-10)16-14(21-12)9-3-4-9/h5-9,17H,3-4H2,1-2H3,(H,15,18)
InChIKeyIXFZIQCFEXJCSN-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.58
Rot. Bonds5

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide (PubChem CID 47924751) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
PubChem CID47924751
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide
SMILESCC(NS(C)(=O)=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C14H17N3O4S/c1-8(17-22(2,19)20)13(18)15-10-5-6-12-11(7-10)16-14(21-12)9-3-4-9/h5-9,17H,3-4H2,1-2H3,(H,15,18)
InChIKeyIXFZIQCFEXJCSN-UHFFFAOYSA-N
XLogP1.58
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
CID 86930482
5-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methylpentanamide
CID 104683893
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-propan-2-ylsulfanylbenzamide
CID 55851729
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[[4-(methylsulfonylmethyl)phenyl]methyl]urea
CID 47050889
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
N-[2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-2-oxo-1-phenylethyl]benzamide
CID 55620148
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
(2R)-2-[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 34336590

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide (CID 47924751) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide is CC(NS(C)(=O)=O)C(=O)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide?
The InChIKey is IXFZIQCFEXJCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-8(17-22(2,19)20)13(18)15-10-5-6-12-11(7-10)16-14(21-12)9-3-4-9/h5-9,17H,3-4H2,1-2H3,(H,15,18).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide has a molecular weight of 323.37 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(methanesulfonamido)propanamide is sourced from PubChem (CID 47924751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).