1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea

C18H22N4O3 — CID 99592728

IUPAC1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea
SMILESCc1noc(C2CC2)c1NC(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C18H22N4O3/c1-12-16(17(25-21-12)13-5-6-13)20-18(23)19-14-3-2-4-15(11-14)22-7-9-24-10-8-22/h2-4,11,13H,5-10H2,1H3,(H2,19,20,23)
InChIKeyUAONRMKUJBFTPQ-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.34
Rot. Bonds4

About 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea

1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea (PubChem CID 99592728) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea
PubChem CID99592728
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea
SMILESCc1noc(C2CC2)c1NC(=O)Nc1cccc(N2CCOCC2)c1
InChIInChI=1S/C18H22N4O3/c1-12-16(17(25-21-12)13-5-6-13)20-18(23)19-14-3-2-4-15(11-14)22-7-9-24-10-8-22/h2-4,11,13H,5-10H2,1H3,(H2,19,20,23)
InChIKeyUAONRMKUJBFTPQ-UHFFFAOYSA-N
XLogP3.34
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methyl-1,2-oxazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612975
2,2-dimethyl-N-(3-morpholin-4-ylphenyl)propanamide
CID 47342308
2-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(3-morpholin-4-ylphenyl)acetamide
CID 110612977
1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 55952950
1-(3-morpholin-4-ylphenyl)-3-(1-propan-2-ylpyrrolidin-3-yl)urea
CID 167749594
N-[(6-methyl-2-pyridinyl)methyl]-N'-(3-morpholin-4-ylphenyl)oxamide
CID 87044150
2-cyclohexyloxy-N-(3-morpholin-4-ylphenyl)acetamide
CID 87042506
N-(3-morpholin-4-ylphenyl)-2-(oxan-2-yl)acetamide
CID 110613011
1-[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]-3-(3-morpholin-4-ylphenyl)urea
CID 95130030
4-N-(3-morpholin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 86821841
4-(4-methylpiperazin-1-yl)-N-(3-morpholin-4-ylphenyl)benzamide
CID 142713208
5-(furan-2-yl)-N-(3-morpholin-4-ylphenyl)-1,2-oxazole-3-carboxamide
CID 110618704

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea (CID 99592728) is 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea is Cc1noc(C2CC2)c1NC(=O)Nc1cccc(N2CCOCC2)c1.
What is the InChIKey of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea?
The InChIKey is UAONRMKUJBFTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-16(17(25-21-12)13-5-6-13)20-18(23)19-14-3-2-4-15(11-14)22-7-9-24-10-8-22/h2-4,11,13H,5-10H2,1H3,(H2,19,20,23).
What are the key properties of 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea?
1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea has a molecular weight of 342.40 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-3-methyl-1,2-oxazol-4-yl)-3-(3-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 99592728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).