N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide

C17H27N3O3 — CID 133267954

IUPACN-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)N[C@@H]1CCOC[C@@H]1C1CCOCC1
InChIInChI=1S/C17H27N3O3/c21-17(3-1-2-13-10-18-19-11-13)20-16-6-9-23-12-15(16)14-4-7-22-8-5-14/h10-11,14-16H,1-9,12H2,(H,18,19)(H,20,21)/t15-,16-/m1/s1
InChIKeySFFRLJVHSWEFAB-HZPDHXFCSA-N
MW321.42 g/mol
LogP1.68
Rot. Bonds6

About N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide

N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 133267954) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID133267954
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC NameN-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide
SMILESO=C(CCCc1cn[nH]c1)N[C@@H]1CCOC[C@@H]1C1CCOCC1
InChIInChI=1S/C17H27N3O3/c21-17(3-1-2-13-10-18-19-11-13)20-16-6-9-23-12-15(16)14-4-7-22-8-5-14/h10-11,14-16H,1-9,12H2,(H,18,19)(H,20,21)/t15-,16-/m1/s1
InChIKeySFFRLJVHSWEFAB-HZPDHXFCSA-N
XLogP1.68
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2-pyridin-3-ylacetamide
CID 133267139
3-(1H-pyrazol-4-yl)-N-[(3S,4R)-3-pyridin-2-yloxyoxan-4-yl]propanamide
CID 91790641
N-[(1R,2S)-2-phenylcyclopropyl]-4-(1H-pyrazol-4-yl)butanamide
CID 74244776
4-(4-fluorophenyl)-N-[(3S,4R)-3-hydroxyoxan-4-yl]butanamide
CID 91763561
2-(4-methylsulfonylphenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide
CID 133267554
N-[(3R,4R)-4-hydroxyoxan-3-yl]-4-(4-methoxyphenyl)butanamide
CID 91797072
2-(2-chlorophenyl)-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]acetamide
CID 133265749
2-(3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]acetamide
CID 91792273
2-[(3S,4R)-3-propan-2-yl-4-[4-(1H-pyrazol-4-yl)butanoylamino]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 154898396
4-(1H-pyrazol-4-yl)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]butanamide
CID 125165028
5-methyl-N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-2H-triazole-4-carboxamide
CID 133266154
2,6-dimethyl-N-[(3S,4S)-3-(oxan-4-yl)oxan-4-yl]pyrimidine-4-carboxamide
CID 91795988

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide (CID 133267954) is N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide is O=C(CCCc1cn[nH]c1)N[C@@H]1CCOC[C@@H]1C1CCOCC1.
What is the InChIKey of N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is SFFRLJVHSWEFAB-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-17(3-1-2-13-10-18-19-11-13)20-16-6-9-23-12-15(16)14-4-7-22-8-5-14/h10-11,14-16H,1-9,12H2,(H,18,19)(H,20,21)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide?
N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 321.42 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-3-(oxan-4-yl)oxan-4-yl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 133267954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).