1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea

C20H21N3O4 — CID 72862665

IUPAC1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
SMILESCN(Cc1cc(C2CC2)on1)C(=O)Nc1ccc(OCc2ccco2)cc1
InChIInChI=1S/C20H21N3O4/c1-23(12-16-11-19(27-22-16)14-4-5-14)20(24)21-15-6-8-17(9-7-15)26-13-18-3-2-10-25-18/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,24)
InChIKeyLSKOWVFBGMHQRK-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.39
Rot. Bonds7

About 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea

1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea (PubChem CID 72862665) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
PubChem CID72862665
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
SMILESCN(Cc1cc(C2CC2)on1)C(=O)Nc1ccc(OCc2ccco2)cc1
InChIInChI=1S/C20H21N3O4/c1-23(12-16-11-19(27-22-16)14-4-5-14)20(24)21-15-6-8-17(9-7-15)26-13-18-3-2-10-25-18/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,24)
InChIKeyLSKOWVFBGMHQRK-UHFFFAOYSA-N
XLogP4.39
TPSA80.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea with MolForge

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Related Compounds

1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-(5-fluoro-3-pyridinyl)-1-methylurea
CID 118788560
1-[(1-ethyl-5-oxopyrrolidin-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea
CID 118777100
1-benzyl-3-[3-chloro-4-(furan-2-ylmethoxy)phenyl]-1-methylurea
CID 60614683
5-cyclopropyl-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-1,2-oxazole-3-carboxamide
CID 34110514
(2R)-N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-2-ethoxy-N-methylpropanamide
CID 126434861
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[(3,5-difluorophenyl)methyl]-1-methylurea
CID 119069149
N-methyl-N-[4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]phenyl]acetamide
CID 86862693
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-1-methylurea
CID 122558814
methyl N-[3-[[furan-2-ylmethyl(methyl)carbamoyl]amino]phenyl]carbamate
CID 51085537
1-methyl-3-[4-(oxan-2-ylmethoxy)phenyl]-1-[(3-propyl-1H-pyrazol-5-yl)methyl]urea
CID 72891734
butyl 4-[[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]amino]benzoate
CID 47039960
3-(2,4-dimethoxyphenyl)-1-(furan-2-ylmethyl)-1-[[5-(2-methoxyphenyl)-1,2-oxazol-3-yl]methyl]urea
CID 46111732

Frequently Asked Questions

What is the IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
The IUPAC name of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea (CID 72862665) is 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea.
What is the SMILES notation for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
The canonical SMILES for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea is CN(Cc1cc(C2CC2)on1)C(=O)Nc1ccc(OCc2ccco2)cc1.
What is the InChIKey of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
The InChIKey is LSKOWVFBGMHQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-23(12-16-11-19(27-22-16)14-4-5-14)20(24)21-15-6-8-17(9-7-15)26-13-18-3-2-10-25-18/h2-3,6-11,14H,4-5,12-13H2,1H3,(H,21,24).
What are the key properties of 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea?
1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea has a molecular weight of 367.41 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-3-[4-(furan-2-ylmethoxy)phenyl]-1-methylurea is sourced from PubChem (CID 72862665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).