1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one

C13H17N3O2 — CID 57274414

IUPAC1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one
SMILESCc1c(N2C=NC(C(C)C)C2=O)noc1C1CC1
InChIInChI=1S/C13H17N3O2/c1-7(2)10-13(17)16(6-14-10)12-8(3)11(18-15-12)9-4-5-9/h6-7,9-10H,4-5H2,1-3H3
InChIKeyMFBJWXRVIDDFLQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.26
Rot. Bonds3

About 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one

1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one (PubChem CID 57274414) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one.

Molecular Properties

Compound Name1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one
PubChem CID57274414
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one
SMILESCc1c(N2C=NC(C(C)C)C2=O)noc1C1CC1
InChIInChI=1S/C13H17N3O2/c1-7(2)10-13(17)16(6-14-10)12-8(3)11(18-15-12)9-4-5-9/h6-7,9-10H,4-5H2,1-3H3
InChIKeyMFBJWXRVIDDFLQ-UHFFFAOYSA-N
XLogP2.26
TPSA58.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-3,4-di(propan-2-yl)-1,2-oxazole
CID 146526741
1,5-di(propan-2-yl)-2,5-dihydro-1,2,4-triazin-6-one
CID 20641757
3-cyclopropyl-7-propan-2-yl-4,5,6,7-tetrahydro-[1,2]oxazolo[4,3-c]pyridine
CID 175183508
5-cyclopropyl-3-(2,6-difluorophenyl)-4-methyl-1,2-oxazole
CID 134400414
5-cyclobutyl-4-methyl-1,2-oxazol-3-amine
CID 66198796
5-cyclopropyl-4-propan-2-yl-1,2-oxazole-3-carboxylic acid
CID 105448821
5-cyclopropyl-3-propan-2-yl-1,2-oxazol-4-amine
CID 82414163
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-2-one
CID 142624811
(5-cyclobutyl-4-methyl-1,2-oxazol-3-yl)methanol
CID 130703469
5-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-7-propan-2-ylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 142624730
3-methyl-9-propan-2-yl-4a,8,8a,9-tetrahydrobenzo[f][1,2]benzoxazole-4,5-dione
CID 91070929
5-cyclopentyl-3-cyclopropyl-1,2-oxazole-4-carbaldehyde
CID 165475526

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one?
The IUPAC name of 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one (CID 57274414) is 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one.
What is the SMILES notation for 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one?
The canonical SMILES for 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one is Cc1c(N2C=NC(C(C)C)C2=O)noc1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one?
The InChIKey is MFBJWXRVIDDFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7(2)10-13(17)16(6-14-10)12-8(3)11(18-15-12)9-4-5-9/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one?
1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one has a molecular weight of 247.30 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-4-methyl-1,2-oxazol-3-yl)-4-propan-2-yl-4H-imidazol-5-one is sourced from PubChem (CID 57274414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).