(2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine

C18H25N3O2 — CID 129001673

IUPAC(2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
SMILESCC1CC1c1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)o1
InChIInChI=1S/C18H25N3O2/c1-12-8-15(12)17-6-5-14(23-17)10-19-16-4-3-7-22-18(16)13-9-20-21(2)11-13/h5-6,9,11-12,15-16,18-19H,3-4,7-8,10H2,1-2H3/t12?,15?,16-,18+/m0/s1
InChIKeyDIVNEAFRONVWAD-PHHQVYGSSA-N
MW315.42 g/mol
LogP3.15
Rot. Bonds5

About (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine

(2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine (PubChem CID 129001673) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
PubChem CID129001673
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
SMILESCC1CC1c1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)o1
InChIInChI=1S/C18H25N3O2/c1-12-8-15(12)17-6-5-14(23-17)10-19-16-4-3-7-22-18(16)13-9-20-21(2)11-13/h5-6,9,11-12,15-16,18-19H,3-4,7-8,10H2,1-2H3/t12?,15?,16-,18+/m0/s1
InChIKeyDIVNEAFRONVWAD-PHHQVYGSSA-N
XLogP3.15
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine with MolForge

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Related Compounds

(2S,3S)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-2-(1-methylimidazol-2-yl)oxan-3-amine
CID 129474459
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]oxan-3-amine
CID 129400618
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(5-methylthiophen-2-yl)methyl]oxan-3-amine
CID 128967215
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(4-morpholin-4-ylphenyl)methyl]oxan-3-amine
CID 128968973
2-methyl-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]oxolan-3-amine
CID 115335826
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]cyclohexan-1-ol
CID 62365432
(2S,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine
CID 129338401
(2R,6R)-2,6-dimethyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]oxan-4-amine
CID 129338399
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129336378
(2R,3S)-N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 129001325
(2R,3S)-N-[(3-fluoro-4-morpholin-4-ylphenyl)methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine
CID 129007096

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine?
The IUPAC name of (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine (CID 129001673) is (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine.
What is the SMILES notation for (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine?
The canonical SMILES for (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine is CC1CC1c1ccc(CN[C@H]2CCCO[C@@H]2c2cnn(C)c2)o1.
What is the InChIKey of (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine?
The InChIKey is DIVNEAFRONVWAD-PHHQVYGSSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-8-15(12)17-6-5-14(23-17)10-19-16-4-3-7-22-18(16)13-9-20-21(2)11-13/h5-6,9,11-12,15-16,18-19H,3-4,7-8,10H2,1-2H3/t12?,15?,16-,18+/m0/s1.
What are the key properties of (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine?
(2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine has a molecular weight of 315.42 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-(1-methylpyrazol-4-yl)oxan-3-amine is sourced from PubChem (CID 129001673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).