1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea

C19H23N3O2 — CID 133138704

IUPAC1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
SMILESO=C(Nc1ccc2ccccc2c1)N[C@@H]1COC[C@H]1N1CCCC1
InChIInChI=1S/C19H23N3O2/c23-19(20-16-8-7-14-5-1-2-6-15(14)11-16)21-17-12-24-13-18(17)22-9-3-4-10-22/h1-2,5-8,11,17-18H,3-4,9-10,12-13H2,(H2,20,21,23)/t17-,18-/m1/s1
InChIKeyWUNCZZYONVDSPD-QZTJIDSGSA-N
MW325.41 g/mol
LogP2.82
Rot. Bonds3

About 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea

1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea (PubChem CID 133138704) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea.

Molecular Properties

Compound Name1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
PubChem CID133138704
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
SMILESO=C(Nc1ccc2ccccc2c1)N[C@@H]1COC[C@H]1N1CCCC1
InChIInChI=1S/C19H23N3O2/c23-19(20-16-8-7-14-5-1-2-6-15(14)11-16)21-17-12-24-13-18(17)22-9-3-4-10-22/h1-2,5-8,11,17-18H,3-4,9-10,12-13H2,(H2,20,21,23)/t17-,18-/m1/s1
InChIKeyWUNCZZYONVDSPD-QZTJIDSGSA-N
XLogP2.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-naphthalen-2-ylurea
CID 78891490
1-[3-(difluoromethoxy)phenyl]-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 133129107
1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 118793961
1-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]phenyl]-3-(4-piperidin-1-yloxolan-3-yl)urea
CID 156607927
methyl 2-chloro-5-[[(3S,4S)-4-morpholin-4-yloxolan-3-yl]carbamoylamino]benzoate
CID 133129286
1-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-3-(2,3,5-trifluorophenyl)urea
CID 133134827
1-(1-methylpiperidin-4-yl)-3-naphthalen-2-ylurea
CID 78832160
1-[2-(2-methylpropyl)pyrazol-3-yl]-3-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]urea
CID 118779891
2-cyano-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]benzamide
CID 118781498
N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]-2-thiophen-2-ylacetamide
CID 122560557
2-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122557865
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)naphthalene-2-carboxamide
CID 75414949

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The IUPAC name of 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea (CID 133138704) is 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea.
What is the SMILES notation for 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The canonical SMILES for 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea is O=C(Nc1ccc2ccccc2c1)N[C@@H]1COC[C@H]1N1CCCC1.
What is the InChIKey of 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea?
The InChIKey is WUNCZZYONVDSPD-QZTJIDSGSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(20-16-8-7-14-5-1-2-6-15(14)11-16)21-17-12-24-13-18(17)22-9-3-4-10-22/h1-2,5-8,11,17-18H,3-4,9-10,12-13H2,(H2,20,21,23)/t17-,18-/m1/s1.
What are the key properties of 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea?
1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea has a molecular weight of 325.41 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-2-yl-3-[(3S,4S)-4-pyrrolidin-1-yloxolan-3-yl]urea is sourced from PubChem (CID 133138704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).