N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

C16H17N3O3 — CID 813740

IUPACN-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)N(CC(=O)Nc1ccon1)C1CC1
InChIInChI=1S/C16H17N3O3/c1-11-4-2-3-5-13(11)16(21)19(12-6-7-12)10-15(20)17-14-8-9-22-18-14/h2-5,8-9,12H,6-7,10H2,1H3,(H,17,18,20)
InChIKeyNOBPHUHTEZTIPA-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.23
Rot. Bonds5

About N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide

N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (PubChem CID 813740) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
PubChem CID813740
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
SMILESCc1ccccc1C(=O)N(CC(=O)Nc1ccon1)C1CC1
InChIInChI=1S/C16H17N3O3/c1-11-4-2-3-5-13(11)16(21)19(12-6-7-12)10-15(20)17-14-8-9-22-18-14/h2-5,8-9,12H,6-7,10H2,1H3,(H,17,18,20)
InChIKeyNOBPHUHTEZTIPA-UHFFFAOYSA-N
XLogP2.23
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 814467
N-cyclopropyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 813744
N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 813750
4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3332799
2-fluoro-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(oxolan-2-ylmethyl)benzamide
CID 4230560
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42769032
2-chloro-N-cyclohexyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 42770204
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 814669
N-hexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 5064786
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 4087473
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 4087470
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide (CID 813740) is N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is Cc1ccccc1C(=O)N(CC(=O)Nc1ccon1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
The InChIKey is NOBPHUHTEZTIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11-4-2-3-5-13(11)16(21)19(12-6-7-12)10-15(20)17-14-8-9-22-18-14/h2-5,8-9,12H,6-7,10H2,1H3,(H,17,18,20).
What are the key properties of N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide?
N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide is sourced from PubChem (CID 813740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).