N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide

C16H17FN2O3 — CID 91786162

IUPACN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cc[nH]c1
InChIInChI=1S/C16H17FN2O3/c17-12-2-1-3-13(8-12)22-15-5-7-21-10-14(15)19-16(20)11-4-6-18-9-11/h1-4,6,8-9,14-15,18H,5,7,10H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyTUUGEDUEAOVFAU-CABCVRRESA-N
MW304.32 g/mol
LogP2.12
Rot. Bonds4

About N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide

N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide (PubChem CID 91786162) has the molecular formula C16H17FN2O3 and a molecular weight of 304.32 g/mol. Its IUPAC name is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide
PubChem CID91786162
Molecular FormulaC16H17FN2O3
Molecular Weight304.32 g/mol
Exact Mass304.12
IUPAC NameN-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cc[nH]c1
InChIInChI=1S/C16H17FN2O3/c17-12-2-1-3-13(8-12)22-15-5-7-21-10-14(15)19-16(20)11-4-6-18-9-11/h1-4,6,8-9,14-15,18H,5,7,10H2,(H,19,20)/t14-,15+/m1/s1
InChIKeyTUUGEDUEAOVFAU-CABCVRRESA-N
XLogP2.12
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-amino-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]pyridine-3-carboxamide
CID 91797334
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-(hydroxymethyl)pyridine-2-carboxamide
CID 90653237
2-ethyl-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]butanamide
CID 91792235
2-ethoxy-N-[4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 156609137
1-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-propylurea
CID 91774796
2-[2-[[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]amino]-2-oxoethoxy]acetamide
CID 91796753
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-4-morpholin-4-ylbutanamide
CID 91779628
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 90653248
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-3-(4-methylpiperazin-1-yl)propanamide
CID 91779153
4-fluoro-N-[(1R,2S,3R,4R)-4-(3-fluorophenoxy)-2,3-dihydroxycyclohexyl]benzamide
CID 110157998
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-2-(2-oxo-1,3-oxazolidin-3-yl)acetamide
CID 91794535
2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]acetamide
CID 91790883

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide (CID 91786162) is N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide is O=C(N[C@@H]1COCC[C@@H]1Oc1cccc(F)c1)c1cc[nH]c1.
What is the InChIKey of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide?
The InChIKey is TUUGEDUEAOVFAU-CABCVRRESA-N. The full InChI is InChI=1S/C16H17FN2O3/c17-12-2-1-3-13(8-12)22-15-5-7-21-10-14(15)19-16(20)11-4-6-18-9-11/h1-4,6,8-9,14-15,18H,5,7,10H2,(H,19,20)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide?
N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(3-fluorophenoxy)oxan-3-yl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91786162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).