1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea

C19H23N3O3 — CID 95124344

IUPAC1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESO=C(NCc1ncc(-c2ccccc2)o1)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C19H23N3O3/c23-19(22(16-6-7-16)12-14-8-9-24-13-14)21-11-18-20-10-17(25-18)15-4-2-1-3-5-15/h1-5,10,14,16H,6-9,11-13H2,(H,21,23)/t14-/m1/s1
InChIKeyILPNQVZHNLVATH-CQSZACIVSA-N
MW341.41 g/mol
LogP3.05
Rot. Bonds6

About 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea

1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 95124344) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID95124344
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESO=C(NCc1ncc(-c2ccccc2)o1)N(C[C@H]1CCOC1)C1CC1
InChIInChI=1S/C19H23N3O3/c23-19(22(16-6-7-16)12-14-8-9-24-13-14)21-11-18-20-10-17(25-18)15-4-2-1-3-5-15/h1-5,10,14,16H,6-9,11-13H2,(H,21,23)/t14-/m1/s1
InChIKeyILPNQVZHNLVATH-CQSZACIVSA-N
XLogP3.05
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea with MolForge

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Related Compounds

1,2-dimethyl-1-(oxolan-3-ylmethyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]guanidine
CID 109384603
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]urea
CID 95284187
3-[(1-benzylpyrazol-4-yl)methyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87007523
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-pyridin-2-ylurea
CID 94182434
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[2-(pyrimidin-2-ylamino)ethyl]urea
CID 94124059
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
1-cyclopropyl-3-ethyl-1-(oxolan-3-ylmethyl)urea
CID 71940583
1-cyclopropyl-3-ethyl-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 97028885
1-cyclopropyl-1-[[(3S)-oxolan-3-yl]methyl]-3-[(2-pyrazol-1-yl-4-pyridinyl)methyl]urea
CID 94030793
3-[2-(1-benzylimidazol-2-yl)ethyl]-1-cyclopropyl-1-(oxolan-3-ylmethyl)urea
CID 87003466
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111504918
1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 110936606

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (CID 95124344) is 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is O=C(NCc1ncc(-c2ccccc2)o1)N(C[C@H]1CCOC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is ILPNQVZHNLVATH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-19(22(16-6-7-16)12-14-8-9-24-13-14)21-11-18-20-10-17(25-18)15-4-2-1-3-5-15/h1-5,10,14,16H,6-9,11-13H2,(H,21,23)/t14-/m1/s1.
What are the key properties of 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 341.41 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-[[(3R)-oxolan-3-yl]methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 95124344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).