1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea

C18H20ClN3O2 — CID 97128270

IUPAC1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H20ClN3O2/c1-12-3-2-4-15(21-12)11-20-18(23)22-16-9-10-24-17(16)13-5-7-14(19)8-6-13/h2-8,16-17H,9-11H2,1H3,(H2,20,22,23)/t16-,17+/m1/s1
InChIKeyXMAHNBLAFFTJSS-SJORKVTESA-N
MW345.83 g/mol
LogP3.37
Rot. Bonds4

About 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea

1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea (PubChem CID 97128270) has the molecular formula C18H20ClN3O2 and a molecular weight of 345.83 g/mol. Its IUPAC name is 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
PubChem CID97128270
Molecular FormulaC18H20ClN3O2
Molecular Weight345.83 g/mol
Exact Mass345.12
IUPAC Name1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
SMILESCc1cccc(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H20ClN3O2/c1-12-3-2-4-15(21-12)11-20-18(23)22-16-9-10-24-17(16)13-5-7-14(19)8-6-13/h2-8,16-17H,9-11H2,1H3,(H2,20,22,23)/t16-,17+/m1/s1
InChIKeyXMAHNBLAFFTJSS-SJORKVTESA-N
XLogP3.37
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 75399797
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 128975029
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 84595697
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(2R)-2-[(R)-methylsulfinyl]propyl]urea
CID 98875908
N-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 100660010
2-[[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]carbamoylamino]-N-prop-2-enylacetamide
CID 124615405
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 86817437
1-[(2R,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-(1,3-thiazol-2-yl)urea
CID 97057644
1-[2-(4-chlorophenyl)oxolan-3-yl]-3-pyridin-2-ylurea
CID 75399805
N-[(6-methyl-2-pyridinyl)methyl]cyclopropanecarboxamide
CID 61150907
N-[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]-2-methylpyridine-3-carboxamide
CID 97333744

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The IUPAC name of 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea (CID 97128270) is 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea.
What is the SMILES notation for 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The canonical SMILES for 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea is Cc1cccc(CNC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)n1.
What is the InChIKey of 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
The InChIKey is XMAHNBLAFFTJSS-SJORKVTESA-N. The full InChI is InChI=1S/C18H20ClN3O2/c1-12-3-2-4-15(21-12)11-20-18(23)22-16-9-10-24-17(16)13-5-7-14(19)8-6-13/h2-8,16-17H,9-11H2,1H3,(H2,20,22,23)/t16-,17+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea?
1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea has a molecular weight of 345.83 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(6-methyl-2-pyridinyl)methyl]urea is sourced from PubChem (CID 97128270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).