1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea

C19H27N3O3 — CID 111859352

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
SMILESCC(C)CC(CCO)CNC(=O)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C19H27N3O3/c1-12(2)9-13(7-8-23)11-20-19(24)21-15-5-6-16-17(10-15)25-18(22-16)14-3-4-14/h5-6,10,12-14,23H,3-4,7-9,11H2,1-2H3,(H2,20,21,24)
InChIKeyDWXYRHDECCFIIJ-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.87
Rot. Bonds8

About 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea

1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea (PubChem CID 111859352) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
PubChem CID111859352
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea
SMILESCC(C)CC(CCO)CNC(=O)Nc1ccc2nc(C3CC3)oc2c1
InChIInChI=1S/C19H27N3O3/c1-12(2)9-13(7-8-23)11-20-19(24)21-15-5-6-16-17(10-15)25-18(22-16)14-3-4-14/h5-6,10,12-14,23H,3-4,7-9,11H2,1-2H3,(H2,20,21,24)
InChIKeyDWXYRHDECCFIIJ-UHFFFAOYSA-N
XLogP3.87
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea with MolForge

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Related Compounds

1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-(1-hydroxy-4-methylpentan-2-yl)urea
CID 71860738
3-[(2-cyclopropyl-1,3-benzoxazol-6-yl)amino]-2-methyl-3-oxopropanoic acid
CID 122099672
N-(2-cyclopropyl-1,3-benzoxazol-6-yl)-2-(methylamino)acetamide
CID 83627413
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 111926785
3-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)propanamide
CID 83627412
methyl 1-[(2-cyclopropyl-1,3-benzoxazol-6-yl)carbamoyl]cyclopropane-1-carboxylate
CID 99634320
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-hydroxy-2-thiophen-3-ylethyl)urea
CID 111443081
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
(2S,3S)-2-amino-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-methylpentanamide
CID 61178533
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103577
2-cyclopropyl-N-[(1S)-1-(1,1-dioxothian-4-yl)ethyl]-1,3-benzoxazol-6-amine
CID 164627822
1-amino-N-(2-cyclopropyl-1,3-benzoxazol-6-yl)cyclohexane-1-carboxamide;hydrochloride
CID 119342258

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea (CID 111859352) is 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea is CC(C)CC(CCO)CNC(=O)Nc1ccc2nc(C3CC3)oc2c1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
The InChIKey is DWXYRHDECCFIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(2)9-13(7-8-23)11-20-19(24)21-15-5-6-16-17(10-15)25-18(22-16)14-3-4-14/h5-6,10,12-14,23H,3-4,7-9,11H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea?
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea has a molecular weight of 345.44 g/mol, XLogP of 3.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[2-(2-hydroxyethyl)-4-methylpentyl]urea is sourced from PubChem (CID 111859352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).