1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea

C14H23N3O2 — CID 96835173

IUPAC1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESC[C@@H](CCC1CCCC1)NC(=O)NCc1ccon1
InChIInChI=1S/C14H23N3O2/c1-11(6-7-12-4-2-3-5-12)16-14(18)15-10-13-8-9-19-17-13/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,18)/t11-/m0/s1
InChIKeyQVRLVCVSEDOESX-NSHDSACASA-N
MW265.36 g/mol
LogP2.83
Rot. Bonds6

About 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea

1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 96835173) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID96835173
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESC[C@@H](CCC1CCCC1)NC(=O)NCc1ccon1
InChIInChI=1S/C14H23N3O2/c1-11(6-7-12-4-2-3-5-12)16-14(18)15-10-13-8-9-19-17-13/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,18)/t11-/m0/s1
InChIKeyQVRLVCVSEDOESX-NSHDSACASA-N
XLogP2.83
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea (CID 96835173) is 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea is C[C@@H](CCC1CCCC1)NC(=O)NCc1ccon1.
What is the InChIKey of 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is QVRLVCVSEDOESX-NSHDSACASA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(6-7-12-4-2-3-5-12)16-14(18)15-10-13-8-9-19-17-13/h8-9,11-12H,2-7,10H2,1H3,(H2,15,16,18)/t11-/m0/s1.
What are the key properties of 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea?
1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 265.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-cyclopentylbutan-2-yl]-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 96835173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).