1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

C17H21N3O3 — CID 111103577

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C17H21N3O3/c21-16(18-10-17(22)7-1-2-8-17)19-12-5-6-14-13(9-12)20-15(23-14)11-3-4-11/h5-6,9,11,22H,1-4,7-8,10H2,(H2,18,19,21)
InChIKeyTXQWBPCQUBCSAS-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.13
Rot. Bonds4

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

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111103577) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111103577
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C17H21N3O3/c21-16(18-10-17(22)7-1-2-8-17)19-12-5-6-14-13(9-12)20-15(23-14)11-3-4-11/h5-6,9,11,22H,1-4,7-8,10H2,(H2,18,19,21)
InChIKeyTXQWBPCQUBCSAS-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-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111103577) is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is O=C(NCC1(O)CCCC1)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is TXQWBPCQUBCSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c21-16(18-10-17(22)7-1-2-8-17)19-12-5-6-14-13(9-12)20-15(23-14)11-3-4-11/h5-6,9,11,22H,1-4,7-8,10H2,(H2,18,19,21).
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]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-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111103577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).