1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea

C12H17N3O2 — CID 115758270

IUPAC1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)NC1CCOC1)c1ccncc1
InChIInChI=1S/C12H17N3O2/c1-9(10-2-5-13-6-3-10)14-12(16)15-11-4-7-17-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3,(H2,14,15,16)
InChIKeyRGWWVQDNXNMATK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.23
Rot. Bonds3

About 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea

1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea (PubChem CID 115758270) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea.

Molecular Properties

Compound Name1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
PubChem CID115758270
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea
SMILESCC(NC(=O)NC1CCOC1)c1ccncc1
InChIInChI=1S/C12H17N3O2/c1-9(10-2-5-13-6-3-10)14-12(16)15-11-4-7-17-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3,(H2,14,15,16)
InChIKeyRGWWVQDNXNMATK-UHFFFAOYSA-N
XLogP1.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-(1-pyridin-4-ylethyl)urea
CID 115575131
1-[1-(2-methylphenyl)ethyl]-3-(oxolan-3-yl)urea
CID 113322035
2-[4-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]piperidin-1-yl]acetamide
CID 95159118
N-[(1S)-1-pyridin-4-ylethyl]oxan-4-amine
CID 81405595
1-(1-cyclopropylethyl)-3-(oxolan-3-yl)urea
CID 115758248
(2S)-2-(oxolan-3-ylcarbamoylamino)-2-phenylacetic acid
CID 113364462
1-propan-2-yl-3-(1-pyridin-4-ylethyl)urea
CID 110748295
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
1-but-3-en-2-yl-3-(oxolan-3-yl)urea
CID 115759178
N-methyl-2-(oxolan-3-ylcarbamoylamino)propanamide
CID 115758780
tert-butyl (3R)-3-[[(1S)-1-pyridin-4-ylethyl]carbamoylamino]pyrrolidine-1-carboxylate
CID 96516600
(1R)-N-(oxolan-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406305

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea?
The IUPAC name of 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea (CID 115758270) is 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea.
What is the SMILES notation for 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea?
The canonical SMILES for 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea is CC(NC(=O)NC1CCOC1)c1ccncc1.
What is the InChIKey of 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea?
The InChIKey is RGWWVQDNXNMATK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(10-2-5-13-6-3-10)14-12(16)15-11-4-7-17-8-11/h2-3,5-6,9,11H,4,7-8H2,1H3,(H2,14,15,16).
What are the key properties of 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea?
1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea has a molecular weight of 235.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-3-(1-pyridin-4-ylethyl)urea is sourced from PubChem (CID 115758270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).