1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea

C16H21N3O2 — CID 20955573

IUPAC1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C16H21N3O2/c1-4-9-17-16(20)18-10-14-12(3)21-15(19-14)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyMMQKYMBGWZPYEF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds5

About 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea

1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea (PubChem CID 20955573) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea
PubChem CID20955573
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1nc(-c2ccccc2C)oc1C
InChIInChI=1S/C16H21N3O2/c1-4-9-17-16(20)18-10-14-12(3)21-15(19-14)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3,(H2,17,18,20)
InChIKeyMMQKYMBGWZPYEF-UHFFFAOYSA-N
XLogP3.17
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidobutyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110417932
N-[2-(2-hydroxyphenyl)ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110614800
4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
CID 20955410
N-[2-[2-(diethylamino)ethoxy]ethyl]-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110612675
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 110624732
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfinyl]-N-(thiophen-2-ylmethyl)acetamide
CID 20860510
2-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methylsulfonyl]-N-[(4-propoxyphenyl)methyl]acetamide
CID 20886447
2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110608808
1-[3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 53005886
2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-propylacetamide
CID 7417948
N-[(4-fluorophenyl)methyl]-5-methyl-2-(2-methylphenyl)-1,3-oxazole-4-carboxamide
CID 122175442
N-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]acetamide
CID 110609935

Frequently Asked Questions

What is the IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea?
The IUPAC name of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea (CID 20955573) is 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea?
The canonical SMILES for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea is CCCNC(=O)NCc1nc(-c2ccccc2C)oc1C.
What is the InChIKey of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea?
The InChIKey is MMQKYMBGWZPYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-9-17-16(20)18-10-14-12(3)21-15(19-14)13-8-6-5-7-11(13)2/h5-8H,4,9-10H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea?
1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea has a molecular weight of 287.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-propylurea is sourced from PubChem (CID 20955573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).