1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea

C20H22N4O3 — CID 87004226

IUPAC1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NCc2ccnc(OCc3ccccc3)c2)no1
InChIInChI=1S/C20H22N4O3/c1-15-10-18(23-27-15)13-24(2)20(25)22-12-17-8-9-21-19(11-17)26-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,25)
InChIKeyRSXSLZDWEUXINZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.30
Rot. Bonds7

About 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea

1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea (PubChem CID 87004226) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
PubChem CID87004226
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
SMILESCc1cc(CN(C)C(=O)NCc2ccnc(OCc3ccccc3)c2)no1
InChIInChI=1S/C20H22N4O3/c1-15-10-18(23-27-15)13-24(2)20(25)22-12-17-8-9-21-19(11-17)26-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,25)
InChIKeyRSXSLZDWEUXINZ-UHFFFAOYSA-N
XLogP3.30
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea with MolForge

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Related Compounds

1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224
3-[(4-butoxy-3-methoxyphenyl)methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 87004153
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
3-[[2-(difluoromethoxy)phenyl]methyl]-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 87003197
3-[(2-ethoxy-4-pyridinyl)methyl]-1-[(3-fluorophenyl)methyl]-1-methylurea
CID 78889802
N-methyl-N-[2-oxo-2-[(2-phenylmethoxy-4-pyridinyl)methylamino]ethyl]thiophene-2-carboxamide
CID 55716009
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46469673
2-(4-chlorophenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707148
2-(3-methoxyphenyl)-N-[(2-phenylmethoxy-4-pyridinyl)methyl]acetamide
CID 55707019
(5-methyl-1,2-oxazol-3-yl)methyl 2-[benzyl(methyl)carbamoyl]benzoate
CID 8952093
N-[(2-phenylmethoxy-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 47057026

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea (CID 87004226) is 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea is Cc1cc(CN(C)C(=O)NCc2ccnc(OCc3ccccc3)c2)no1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
The InChIKey is RSXSLZDWEUXINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-15-10-18(23-27-15)13-24(2)20(25)22-12-17-8-9-21-19(11-17)26-14-16-6-4-3-5-7-16/h3-11H,12-14H2,1-2H3,(H,22,25).
What are the key properties of 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea has a molecular weight of 366.42 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 87004226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).