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

C12H17N3O3 — CID 813750

IUPACN-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
SMILESCC(C)C(=O)N(CC(=O)Nc1ccon1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-8(2)12(17)15(9-3-4-9)7-11(16)13-10-5-6-18-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14,16)
InChIKeyJIVZEXMYYNNZAF-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.26
Rot. Bonds5

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

N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide (PubChem CID 813750) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
PubChem CID813750
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC NameN-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
SMILESCC(C)C(=O)N(CC(=O)Nc1ccon1)C1CC1
InChIInChI=1S/C12H17N3O3/c1-8(2)12(17)15(9-3-4-9)7-11(16)13-10-5-6-18-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14,16)
InChIKeyJIVZEXMYYNNZAF-UHFFFAOYSA-N
XLogP1.26
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 813740
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 813725
N-cyclopropyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]naphthalene-2-carboxamide
CID 813744
N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylcyclohexanecarboxamide
CID 42769101
N-(3-methylbutyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 4087473
2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 814540
2-chloro-N-(cyclohexylmethyl)-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide
CID 42771670
4-bromo-N-cyclohexyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]benzamide
CID 3332799
2-[cyclopropylmethyl(dimethylcarbamoyl)amino]-N-(1,2-oxazol-3-yl)acetamide
CID 814669
3-cyclopentyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42769112
4-methyl-N-(1,2-oxazol-3-yl)pentanamide
CID 130694533
2-chloro-N-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]propanamide
CID 3538590

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide?
The IUPAC name of N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide (CID 813750) is N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide?
The canonical SMILES for N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide is CC(C)C(=O)N(CC(=O)Nc1ccon1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide?
The InChIKey is JIVZEXMYYNNZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(2)12(17)15(9-3-4-9)7-11(16)13-10-5-6-18-14-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14,16).
What are the key properties of N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide?
N-cyclopropyl-2-methyl-N-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]propanamide has a molecular weight of 251.29 g/mol, XLogP of 1.26, 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]propanamide is sourced from PubChem (CID 813750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).