1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea

C14H17N3O4 — CID 110608289

IUPAC1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
SMILESCn1c(=O)oc2cc(NC(=O)NC3CCOCC3)ccc21
InChIInChI=1S/C14H17N3O4/c1-17-11-3-2-10(8-12(11)21-14(17)19)16-13(18)15-9-4-6-20-7-5-9/h2-3,8-9H,4-7H2,1H3,(H2,15,16,18)
InChIKeyIUQMDVJXTRQBDG-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.43
Rot. Bonds2

About 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea

1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea (PubChem CID 110608289) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
PubChem CID110608289
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
SMILESCn1c(=O)oc2cc(NC(=O)NC3CCOCC3)ccc21
InChIInChI=1S/C14H17N3O4/c1-17-11-3-2-10(8-12(11)21-14(17)19)16-13(18)15-9-4-6-20-7-5-9/h2-3,8-9H,4-7H2,1H3,(H2,15,16,18)
InChIKeyIUQMDVJXTRQBDG-UHFFFAOYSA-N
XLogP1.43
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)piperidine-4-carboxamide;hydrochloride
CID 119312603
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(2-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-4-yl)urea
CID 72842438
3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
CID 119764734
1-cyclopentyl-3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]urea
CID 110775565
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312607
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-morpholin-4-ylpyridine-2-carboxamide
CID 136534503
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea
CID 74230882
2-chloro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 61399256
2-fluoro-4-(oxan-4-ylcarbamoylamino)benzoic acid
CID 107796002
1-[3-[1-(methylamino)ethyl]phenyl]-3-(oxan-4-yl)urea
CID 61339515
2-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
CID 119312613
2-cyano-2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)propanamide
CID 115174971

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea?
The IUPAC name of 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea (CID 110608289) is 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea?
The canonical SMILES for 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea is Cn1c(=O)oc2cc(NC(=O)NC3CCOCC3)ccc21.
What is the InChIKey of 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea?
The InChIKey is IUQMDVJXTRQBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-17-11-3-2-10(8-12(11)21-14(17)19)16-13(18)15-9-4-6-20-7-5-9/h2-3,8-9H,4-7H2,1H3,(H2,15,16,18).
What are the key properties of 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea?
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea has a molecular weight of 291.31 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea is sourced from PubChem (CID 110608289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).