1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea

C17H21N3O3 — CID 111926785

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1ccc2nc(C3CC3)oc2c1)NC1(CO)CCCC1
InChIInChI=1S/C17H21N3O3/c21-10-17(7-1-2-8-17)20-16(22)18-12-5-6-13-14(9-12)23-15(19-13)11-3-4-11/h5-6,9,11,21H,1-4,7-8,10H2,(H2,18,20,22)
InChIKeyDJYOAMGUSJBTOG-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.13
Rot. Bonds4

About 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea

1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea (PubChem CID 111926785) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
PubChem CID111926785
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESO=C(Nc1ccc2nc(C3CC3)oc2c1)NC1(CO)CCCC1
InChIInChI=1S/C17H21N3O3/c21-10-17(7-1-2-8-17)20-16(22)18-12-5-6-13-14(9-12)23-15(19-13)11-3-4-11/h5-6,9,11,21H,1-4,7-8,10H2,(H2,18,20,22)
InChIKeyDJYOAMGUSJBTOG-UHFFFAOYSA-N
XLogP3.13
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea (CID 111926785) is 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea is O=C(Nc1ccc2nc(C3CC3)oc2c1)NC1(CO)CCCC1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is DJYOAMGUSJBTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-10-17(7-1-2-8-17)20-16(22)18-12-5-6-13-14(9-12)23-15(19-13)11-3-4-11/h5-6,9,11,21H,1-4,7-8,10H2,(H2,18,20,22).
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
1-(2-cyclopropyl-1,3-benzoxazol-6-yl)-3-[1-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 315.37 g/mol, XLogP of 3.13, 4 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-[1-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 111926785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).