1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

C21H30N4O2 — CID 134447951

IUPAC1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2N(CC(C)C)C2CCCCC2)on1
InChIInChI=1S/C21H30N4O2/c1-15(2)14-25(17-9-5-4-6-10-17)19-12-8-7-11-18(19)22-21(26)23-20-13-16(3)24-27-20/h7-8,11-13,15,17H,4-6,9-10,14H2,1-3H3,(H2,22,23,26)
InChIKeyGNAOMCYWXKUYAB-UHFFFAOYSA-N
MW370.50 g/mol
LogP5.42
Rot. Bonds6

About 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea

1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (PubChem CID 134447951) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.

Molecular Properties

Compound Name1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
PubChem CID134447951
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
SMILESCc1cc(NC(=O)Nc2ccccc2N(CC(C)C)C2CCCCC2)on1
InChIInChI=1S/C21H30N4O2/c1-15(2)14-25(17-9-5-4-6-10-17)19-12-8-7-11-18(19)22-21(26)23-20-13-16(3)24-27-20/h7-8,11-13,15,17H,4-6,9-10,14H2,1-3H3,(H2,22,23,26)
InChIKeyGNAOMCYWXKUYAB-UHFFFAOYSA-N
XLogP5.42
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.50
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The IUPAC name of 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea (CID 134447951) is 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea.
What is the SMILES notation for 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The canonical SMILES for 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is Cc1cc(NC(=O)Nc2ccccc2N(CC(C)C)C2CCCCC2)on1.
What is the InChIKey of 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
The InChIKey is GNAOMCYWXKUYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-15(2)14-25(17-9-5-4-6-10-17)19-12-8-7-11-18(19)22-21(26)23-20-13-16(3)24-27-20/h7-8,11-13,15,17H,4-6,9-10,14H2,1-3H3,(H2,22,23,26).
What are the key properties of 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea?
1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea has a molecular weight of 370.50 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclohexyl(2-methylpropyl)amino]phenyl]-3-(3-methyl-1,2-oxazol-5-yl)urea is sourced from PubChem (CID 134447951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).