1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea

C20H24N4O4 — CID 74230882

IUPAC1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea
SMILESCCn1c(=O)oc2cc(NC(=O)NC3CCN(Cc4ccco4)CC3)ccc21
InChIInChI=1S/C20H24N4O4/c1-2-24-17-6-5-15(12-18(17)28-20(24)26)22-19(25)21-14-7-9-23(10-8-14)13-16-4-3-11-27-16/h3-6,11-12,14H,2,7-10,13H2,1H3,(H2,21,22,25)
InChIKeyAALDMUHHRBTXHI-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.99
Rot. Bonds5

About 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea

1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea (PubChem CID 74230882) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea
PubChem CID74230882
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea
SMILESCCn1c(=O)oc2cc(NC(=O)NC3CCN(Cc4ccco4)CC3)ccc21
InChIInChI=1S/C20H24N4O4/c1-2-24-17-6-5-15(12-18(17)28-20(24)26)22-19(25)21-14-7-9-23(10-8-14)13-16-4-3-11-27-16/h3-6,11-12,14H,2,7-10,13H2,1H3,(H2,21,22,25)
InChIKeyAALDMUHHRBTXHI-UHFFFAOYSA-N
XLogP2.99
TPSA92.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea with MolForge

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Related Compounds

1-[1-(furan-2-ylmethyl)piperidin-4-yl]-3-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]urea
CID 72872687
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-(4-ethylphenyl)urea
CID 50796887
1-(3-acetylphenyl)-3-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)urea
CID 50796856
1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-(oxan-4-yl)urea
CID 110608289
4-bromo-N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 50796749
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
N-(1-benzylpiperidin-4-yl)-3-ethyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 16673757
N-[1-(furan-2-ylmethyl)piperidin-4-yl]-2-(methylamino)pyridine-4-carboxamide
CID 77093957
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 50796782
N-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)cyclopropanesulfonamide
CID 167812573
1-(1-ethylpiperidin-4-yl)-3-(6-methoxy-3-pyridinyl)urea
CID 51081933
tert-butyl N-[(3S)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]carbamate
CID 139674621

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea?
The IUPAC name of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea (CID 74230882) is 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea is CCn1c(=O)oc2cc(NC(=O)NC3CCN(Cc4ccco4)CC3)ccc21.
What is the InChIKey of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea?
The InChIKey is AALDMUHHRBTXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-2-24-17-6-5-15(12-18(17)28-20(24)26)22-19(25)21-14-7-9-23(10-8-14)13-16-4-3-11-27-16/h3-6,11-12,14H,2,7-10,13H2,1H3,(H2,21,22,25).
What are the key properties of 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea?
1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea has a molecular weight of 384.44 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)-3-[1-(furan-2-ylmethyl)piperidin-4-yl]urea is sourced from PubChem (CID 74230882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).