1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea

C16H21N5O2 — CID 97257371

IUPAC1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)c1ncn[nH]1
InChIInChI=1S/C16H21N5O2/c1-11(15-17-10-18-21-15)19-16(22)20-12-6-8-14(9-7-12)23-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,17,18,21)(H2,19,20,22)/t11-/m0/s1
InChIKeyDLVWLPGSYMKMBT-NSHDSACASA-N
MW315.38 g/mol
LogP3.01
Rot. Bonds5

About 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea

1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea (PubChem CID 97257371) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
PubChem CID97257371
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea
SMILESC[C@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)c1ncn[nH]1
InChIInChI=1S/C16H21N5O2/c1-11(15-17-10-18-21-15)19-16(22)20-12-6-8-14(9-7-12)23-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,17,18,21)(H2,19,20,22)/t11-/m0/s1
InChIKeyDLVWLPGSYMKMBT-NSHDSACASA-N
XLogP3.01
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 103912459
1-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 97276719
N-(4-cyclopentyloxyphenyl)-4-hydroxypentanamide
CID 79200161
1-(4-cyclopentyloxyphenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 110894513
(2S,3S)-2-amino-N-(4-cyclopentyloxyphenyl)-3-methylpentanamide
CID 61178379
1-[3-[1-(methylamino)ethyl]phenyl]-3-[1-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 106283450
2-chloro-N-(4-cyclopentyloxyphenyl)acetamide
CID 39356793
N-(4-cyclopentyloxyphenyl)-4-ethoxybenzamide
CID 36565370
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiolane-2-carboxamide
CID 103725791
2-bromo-N-(4-cyclohexyloxyphenyl)acetamide
CID 23624715
(2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 97219658
2-(4-cyclopentyloxyanilino)-N-phenylpropanamide
CID 42950148

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The IUPAC name of 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea (CID 97257371) is 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea is C[C@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)c1ncn[nH]1.
What is the InChIKey of 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
The InChIKey is DLVWLPGSYMKMBT-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5O2/c1-11(15-17-10-18-21-15)19-16(22)20-12-6-8-14(9-7-12)23-13-4-2-3-5-13/h6-11,13H,2-5H2,1H3,(H,17,18,21)(H2,19,20,22)/t11-/m0/s1.
What are the key properties of 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea?
1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea has a molecular weight of 315.38 g/mol, XLogP of 3.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentyloxyphenyl)-3-[(1S)-1-(1H-1,2,4-triazol-5-yl)ethyl]urea is sourced from PubChem (CID 97257371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).