1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea

C13H15N3O3 — CID 45029596

IUPAC1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
SMILESCC1Oc2ccc(NC(=O)NC3CC3)cc2NC1=O
InChIInChI=1S/C13H15N3O3/c1-7-12(17)16-10-6-9(4-5-11(10)19-7)15-13(18)14-8-2-3-8/h4-8H,2-3H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeySNIAZVJCUGIPEN-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.69
Rot. Bonds2

About 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea

1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea (PubChem CID 45029596) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
PubChem CID45029596
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
SMILESCC1Oc2ccc(NC(=O)NC3CC3)cc2NC1=O
InChIInChI=1S/C13H15N3O3/c1-7-12(17)16-10-6-9(4-5-11(10)19-7)15-13(18)14-8-2-3-8/h4-8H,2-3H2,1H3,(H,16,17)(H2,14,15,18)
InChIKeySNIAZVJCUGIPEN-UHFFFAOYSA-N
XLogP1.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 110774624
1-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-phenylurea
CID 41291616
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopropanecarboxamide
CID 9146242
(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)carbamic acid
CID 115170648
3-(cyclopropylamino)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
CID 60867993
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]cyclopentanecarboxamide
CID 9145093
1-[(4-cyclopropylphenyl)methyl]-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea
CID 119047537
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 42506170
6-[(4-aminocyclohexyl)amino]-2-methyl-4H-1,4-benzoxazin-3-one
CID 79724163
N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]adamantane-1-carboxamide
CID 30035082
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 16606132
(E)-4-[(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)amino]-4-oxobut-2-enoic acid
CID 60941117

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea?
The IUPAC name of 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea (CID 45029596) is 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea?
The canonical SMILES for 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea is CC1Oc2ccc(NC(=O)NC3CC3)cc2NC1=O.
What is the InChIKey of 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea?
The InChIKey is SNIAZVJCUGIPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-12(17)16-10-6-9(4-5-11(10)19-7)15-13(18)14-8-2-3-8/h4-8H,2-3H2,1H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea?
1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea has a molecular weight of 261.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)urea is sourced from PubChem (CID 45029596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).