N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide

C19H25N3O2 — CID 95964717

IUPACN-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccc([C@H]2OCCC[C@@H]2NC(=O)CCc2cnn(C)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-14-5-8-16(9-6-14)19-17(4-3-11-24-19)21-18(23)10-7-15-12-20-22(2)13-15/h5-6,8-9,12-13,17,19H,3-4,7,10-11H2,1-2H3,(H,21,23)/t17-,19+/m0/s1
InChIKeyCGRNGXKOGYJQHH-PKOBYXMFSA-N
MW327.43 g/mol
LogP2.70
Rot. Bonds5

About N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide

N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide (PubChem CID 95964717) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
PubChem CID95964717
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide
SMILESCc1ccc([C@H]2OCCC[C@@H]2NC(=O)CCc2cnn(C)c2)cc1
InChIInChI=1S/C19H25N3O2/c1-14-5-8-16(9-6-14)19-17(4-3-11-24-19)21-18(23)10-7-15-12-20-22(2)13-15/h5-6,8-9,12-13,17,19H,3-4,7,10-11H2,1-2H3,(H,21,23)/t17-,19+/m0/s1
InChIKeyCGRNGXKOGYJQHH-PKOBYXMFSA-N
XLogP2.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]pyrazole-4-carboxamide
CID 96565943
(2R,3S)-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)oxan-3-amine
CID 129370432
2-(diethylamino)-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128966088
3-(1-methylpyrazol-4-yl)-N-[(1S,2R)-2-phenoxycyclopentyl]propanamide
CID 96531761
(3S)-4-amino-3-methoxy-N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]butanamide
CID 129467980
1-[(2S,3S)-2-(4-chlorophenyl)oxolan-3-yl]-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 97128571
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111620744
2-[methyl(propan-2-yl)amino]-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]acetamide
CID 128992337
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 129335770
N-[(2S,3S)-2-(4-methylphenyl)oxan-3-yl]oxane-4-carboxamide
CID 95964708
2-methyl-3-(methylamino)-N-[2-(4-methylphenyl)oxan-3-yl]propanamide;hydrochloride
CID 119818126

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The IUPAC name of N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide (CID 95964717) is N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide is Cc1ccc([C@H]2OCCC[C@@H]2NC(=O)CCc2cnn(C)c2)cc1.
What is the InChIKey of N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide?
The InChIKey is CGRNGXKOGYJQHH-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-5-8-16(9-6-14)19-17(4-3-11-24-19)21-18(23)10-7-15-12-20-22(2)13-15/h5-6,8-9,12-13,17,19H,3-4,7,10-11H2,1-2H3,(H,21,23)/t17-,19+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide?
N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide has a molecular weight of 327.43 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(4-methylphenyl)oxan-3-yl]-3-(1-methylpyrazol-4-yl)propanamide is sourced from PubChem (CID 95964717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).