1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea

C19H25N3O2 — CID 71895854

IUPAC1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)NC1CCCCCCC1
InChIInChI=1S/C19H25N3O2/c23-19(20-14-6-4-2-1-3-5-7-14)21-15-10-11-17-16(12-15)22-18(24-17)13-8-9-13/h10-14H,1-9H2,(H2,20,21,23)
InChIKeyZUNWDEZQBRZINJ-UHFFFAOYSA-N
MW327.43 g/mol
LogP4.94
Rot. Bonds3

About 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea

1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea (PubChem CID 71895854) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea.

Molecular Properties

Compound Name1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
PubChem CID71895854
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
SMILESO=C(Nc1ccc2oc(C3CC3)nc2c1)NC1CCCCCCC1
InChIInChI=1S/C19H25N3O2/c23-19(20-14-6-4-2-1-3-5-7-14)21-15-10-11-17-16(12-15)22-18(24-17)13-8-9-13/h10-14H,1-9H2,(H2,20,21,23)
InChIKeyZUNWDEZQBRZINJ-UHFFFAOYSA-N
XLogP4.94
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103577
2-[[3-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122075721
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
CID 71940384
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 46416202
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)imidazole-1-carboxamide
CID 81251766
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-methyl-1,3-thiazole-5-carboxamide
CID 51098304

Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea?
The IUPAC name of 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea (CID 71895854) is 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea.
What is the SMILES notation for 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea?
The canonical SMILES for 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea is O=C(Nc1ccc2oc(C3CC3)nc2c1)NC1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea?
The InChIKey is ZUNWDEZQBRZINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19(20-14-6-4-2-1-3-5-7-14)21-15-10-11-17-16(12-15)22-18(24-17)13-8-9-13/h10-14H,1-9H2,(H2,20,21,23).
What are the key properties of 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea?
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea has a molecular weight of 327.43 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea is sourced from PubChem (CID 71895854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).