1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea

C15H15N5O2 — CID 71940384

IUPAC1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1
InChIInChI=1S/C15H15N5O2/c1-20-8-11(7-16-20)18-15(21)17-10-4-5-13-12(6-10)19-14(22-13)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,18,21)
InChIKeyMZCZKWRDPAOVEA-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea

1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea (PubChem CID 71940384) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
PubChem CID71940384
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC Name1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCn1cc(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1
InChIInChI=1S/C15H15N5O2/c1-20-8-11(7-16-20)18-15(21)17-10-4-5-13-12(6-10)19-14(22-13)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,18,21)
InChIKeyMZCZKWRDPAOVEA-UHFFFAOYSA-N
XLogP3.08
TPSA84.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854
4-[(2-cyclopropyl-1,3-benzoxazol-5-yl)carbamoylamino]butanoic acid
CID 122075730
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[1-(2-methoxyethyl)pyrazol-3-yl]urea
CID 86803910
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-4-pyrazol-1-ylbutanamide
CID 47084365
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103577
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727
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
(3R)-1-acetyl-N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-3-carboxamide
CID 94146559
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-hydroxy-2-methylpentan-2-yl)urea
CID 111754574
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide;hydrochloride
CID 119290775

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea (CID 71940384) is 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea is Cn1cc(NC(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1.
What is the InChIKey of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is MZCZKWRDPAOVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c1-20-8-11(7-16-20)18-15(21)17-10-4-5-13-12(6-10)19-14(22-13)9-2-3-9/h4-9H,2-3H2,1H3,(H2,17,18,21).
What are the key properties of 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea?
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 297.32 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 71940384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).