1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea

C18H22ClN3O2 — CID 170580700

IUPAC1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCc1cc(CNC(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)on1
InChIInChI=1S/C18H22ClN3O2/c1-12-9-16(24-22-12)11-20-18(23)21-17(13-5-2-3-6-13)14-7-4-8-15(19)10-14/h4,7-10,13,17H,2-3,5-6,11H2,1H3,(H2,20,21,23)/t17-/m0/s1
InChIKeyGIPMVQYWEXMSAU-KRWDZBQOSA-N
MW347.85 g/mol
LogP4.37
Rot. Bonds5

About 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea

1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 170580700) has the molecular formula C18H22ClN3O2 and a molecular weight of 347.85 g/mol. Its IUPAC name is 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
PubChem CID170580700
Molecular FormulaC18H22ClN3O2
Molecular Weight347.85 g/mol
Exact Mass347.14
IUPAC Name1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCc1cc(CNC(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)on1
InChIInChI=1S/C18H22ClN3O2/c1-12-9-16(24-22-12)11-20-18(23)21-17(13-5-2-3-6-13)14-7-4-8-15(19)10-14/h4,7-10,13,17H,2-3,5-6,11H2,1H3,(H2,20,21,23)/t17-/m0/s1
InChIKeyGIPMVQYWEXMSAU-KRWDZBQOSA-N
XLogP4.37
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea with MolForge

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Related Compounds

1-[(3-chlorophenyl)-cyclopentylmethyl]-3-[(5-methyl-1,2-oxazol-4-yl)methyl]urea;cyclopentane;ethane
CID 170580426
N-[(1R,2R)-2-[[(S)-(3-chlorophenyl)-cyclopentylmethyl]carbamoylamino]cyclopropyl]acetamide
CID 170580551
N-[(R)-(3-chlorophenyl)-cyclohexylmethyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 124610117
1-[(3-chlorophenyl)-cyclopentylmethyl]-3-(3-hydroxycyclopentyl)urea
CID 170581158
1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 71881577
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 128967384
(2S,5R)-5-(aminomethyl)-N-[(3-chlorophenyl)-cyclohexylmethyl]oxolane-2-carboxamide
CID 120795524
3-acetamido-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclohexane-1-carboxamide
CID 170578738
3-amino-N-[(S)-(3-chlorophenyl)-cyclopentylmethyl]cyclobutane-1-carboxamide
CID 170580293
1-(3-chlorophenyl)-1-cycloheptyl-N-methylmethanamine
CID 65400043
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
N-[(3-chlorophenyl)-cyclopentylmethyl]-3-hydroxy-3-(2-methylpyrazol-3-yl)cyclobutane-1-carboxamide
CID 170579534

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (CID 170580700) is 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is Cc1cc(CNC(=O)N[C@H](c2cccc(Cl)c2)C2CCCC2)on1.
What is the InChIKey of 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is GIPMVQYWEXMSAU-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22ClN3O2/c1-12-9-16(24-22-12)11-20-18(23)21-17(13-5-2-3-6-13)14-7-4-8-15(19)10-14/h4,7-10,13,17H,2-3,5-6,11H2,1H3,(H2,20,21,23)/t17-/m0/s1.
What are the key properties of 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 347.85 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(3-chlorophenyl)-cyclopentylmethyl]-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 170580700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).