1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea

C20H25N3O3 — CID 127675571

IUPAC1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
SMILESCCc1onc(C)c1NC(=O)NC1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C20H25N3O3/c1-3-16-18(13(2)23-26-16)22-19(24)21-15-12-20(10-6-7-11-20)25-17-9-5-4-8-14(15)17/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H2,21,22,24)
InChIKeyVZRIXMPLKJQIQP-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.50
Rot. Bonds3

About 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea

1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea (PubChem CID 127675571) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea.

Molecular Properties

Compound Name1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
PubChem CID127675571
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
SMILESCCc1onc(C)c1NC(=O)NC1CC2(CCCC2)Oc2ccccc21
InChIInChI=1S/C20H25N3O3/c1-3-16-18(13(2)23-26-16)22-19(24)21-15-12-20(10-6-7-11-20)25-17-9-5-4-8-14(15)17/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H2,21,22,24)
InChIKeyVZRIXMPLKJQIQP-UHFFFAOYSA-N
XLogP4.50
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea with MolForge

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]urea
CID 124621687
1-propyl-3-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylurea
CID 126468272
2-(4-ethylphenyl)-N-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ylacetamide
CID 133224868
1-(2-methoxyphenyl)-3-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]urea
CID 100746880
2-hydroxy-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylacetamide
CID 86285388
2-hydroxy-N-[(4R)-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl]acetamide
CID 99974584
1-[[1-(2-methoxyethyl)cyclopropyl]methyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71915122
1-(6-methoxypyrimidin-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea
CID 127815177
3-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylpropanamide;hydrochloride
CID 119341948
1-amino-N-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylcyclopentane-1-carboxamide
CID 119341963
2-amino-4-methyl-N-[(4S)-spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-yl]pyrimidine-5-carboxamide
CID 99934057
1-[2-[cyclopropyl(methyl)amino]ethyl]-3-spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-ylurea
CID 71920773

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea?
The IUPAC name of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea (CID 127675571) is 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea.
What is the SMILES notation for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea?
The canonical SMILES for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea is CCc1onc(C)c1NC(=O)NC1CC2(CCCC2)Oc2ccccc21.
What is the InChIKey of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea?
The InChIKey is VZRIXMPLKJQIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-16-18(13(2)23-26-16)22-19(24)21-15-12-20(10-6-7-11-20)25-17-9-5-4-8-14(15)17/h4-5,8-9,15H,3,6-7,10-12H2,1-2H3,(H2,21,22,24).
What are the key properties of 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea?
1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea has a molecular weight of 355.44 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-3-spiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-ylurea is sourced from PubChem (CID 127675571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).