1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea

C18H21N5O3 — CID 167846340

IUPAC1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
SMILESCCn1nc(NC(=O)NCc2ccc3c(c2)oc(=O)n3C)cc1C1CC1
InChIInChI=1S/C18H21N5O3/c1-3-23-14(12-5-6-12)9-16(21-23)20-17(24)19-10-11-4-7-13-15(8-11)26-18(25)22(13)2/h4,7-9,12H,3,5-6,10H2,1-2H3,(H2,19,20,21,24)
InChIKeyZFEMQSDHJUTECA-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.55
Rot. Bonds5

About 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea

1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea (PubChem CID 167846340) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
PubChem CID167846340
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
SMILESCCn1nc(NC(=O)NCc2ccc3c(c2)oc(=O)n3C)cc1C1CC1
InChIInChI=1S/C18H21N5O3/c1-3-23-14(12-5-6-12)9-16(21-23)20-17(24)19-10-11-4-7-13-15(8-11)26-18(25)22(13)2/h4,7-9,12H,3,5-6,10H2,1-2H3,(H2,19,20,21,24)
InChIKeyZFEMQSDHJUTECA-UHFFFAOYSA-N
XLogP2.55
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea 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-(2-methoxy-5-methylphenyl)-2-methyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
CID 16024388
1-[5-(Difluoromethoxy)-1-methylpyrazol-3-yl]-3-[2-[2-(dimethylamino)ethoxy]-4-methylphenyl]urea
CID 100720880
N-{1-methyl-5-[(2-oxo-1,3-benzoxazol-3(2H)-yl)acetyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}cyclopropanecarboxamide
CID 132448890
N-[1-(4-methylphenyl)pyrazol-3-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxamide
CID 11362069
2-(2-methoxyphenyl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-6-one
CID 136621306
tert-butyl 3-amino-2-(2-methoxy-6-methylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 137353301
N-[2-(2-methoxy-6-methylphenyl)-5-methylpyrazol-3-yl]-2H-pyrimidine-1-carboxamide
CID 140574587
6-[[1-tert-butyl-3-[(1S)-cyclopent-2-en-1-yl]pyrazol-5-yl]amino]-3-methyl-1,3-benzoxazol-2-one
CID 176204670
3-[1-[4-(Aminomethyl)-2-methoxyphenyl]-6-chloro-4,5-dihydropyrazolo[4,5-c]pyridin-3-yl]-8-(2-hydroxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;methanamine
CID 177025504
N-(3-tert-butyl-1-methylpyrazol-5-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3800940
(3,5-Dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[(2-oxo-1,3-benzoxazol-3-yl)methyl]azanium
CID 8892225
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16380574

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea (CID 167846340) is 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea is CCn1nc(NC(=O)NCc2ccc3c(c2)oc(=O)n3C)cc1C1CC1.
What is the InChIKey of 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea?
The InChIKey is ZFEMQSDHJUTECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-3-23-14(12-5-6-12)9-16(21-23)20-17(24)19-10-11-4-7-13-15(8-11)26-18(25)22(13)2/h4,7-9,12H,3,5-6,10H2,1-2H3,(H2,19,20,21,24).
What are the key properties of 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea?
1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea has a molecular weight of 355.40 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1-ethylpyrazol-3-yl)-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea is sourced from PubChem (CID 167846340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).