1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea

C13H17N5O3 — CID 154770309

IUPAC1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea
SMILESCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Nc2ccon2)cn1
InChIInChI=1S/C13H17N5O3/c1-18-8-9(7-14-18)21-11-4-2-3-10(11)15-13(19)16-12-5-6-20-17-12/h5-8,10-11H,2-4H2,1H3,(H2,15,16,17,19)/t10-,11+/m0/s1
InChIKeyLDBILYXVFDLRFQ-WDEREUQCSA-N
MW291.31 g/mol
LogP1.53
Rot. Bonds4

About 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea

1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea (PubChem CID 154770309) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea
PubChem CID154770309
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea
SMILESCn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Nc2ccon2)cn1
InChIInChI=1S/C13H17N5O3/c1-18-8-9(7-14-18)21-11-4-2-3-10(11)15-13(19)16-12-5-6-20-17-12/h5-8,10-11H,2-4H2,1H3,(H2,15,16,17,19)/t10-,11+/m0/s1
InChIKeyLDBILYXVFDLRFQ-WDEREUQCSA-N
XLogP1.53
TPSA94.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea (CID 154770309) is 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea is Cn1cc(O[C@@H]2CCC[C@@H]2NC(=O)Nc2ccon2)cn1.
What is the InChIKey of 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea?
The InChIKey is LDBILYXVFDLRFQ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-18-8-9(7-14-18)21-11-4-2-3-10(11)15-13(19)16-12-5-6-20-17-12/h5-8,10-11H,2-4H2,1H3,(H2,15,16,17,19)/t10-,11+/m0/s1.
What are the key properties of 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea?
1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea has a molecular weight of 291.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-(1-methylpyrazol-4-yl)oxycyclopentyl]-3-(1,2-oxazol-3-yl)urea is sourced from PubChem (CID 154770309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).