(2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide

C14H22N4O3 — CID 127692606

IUPAC(2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide
SMILESCC(C)CC(NC(=O)[C@@H]1CCCO1)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C14H22N4O3/c1-9(2)8-10(13(19)17-12-5-6-15-18-12)16-14(20)11-4-3-7-21-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,20)(H2,15,17,18,19)/t10?,11-/m0/s1
InChIKeyOUSUHSLXDRHTLS-DTIOYNMSSA-N
MW294.35 g/mol
LogP1.06
Rot. Bonds6

About (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide

(2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide (PubChem CID 127692606) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide
PubChem CID127692606
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name(2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide
SMILESCC(C)CC(NC(=O)[C@@H]1CCCO1)C(=O)Nc1ccn[nH]1
InChIInChI=1S/C14H22N4O3/c1-9(2)8-10(13(19)17-12-5-6-15-18-12)16-14(20)11-4-3-7-21-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,20)(H2,15,17,18,19)/t10?,11-/m0/s1
InChIKeyOUSUHSLXDRHTLS-DTIOYNMSSA-N
XLogP1.06
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide with MolForge

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Related Compounds

(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
methyl 4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 103849887
methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681554
methyl (2R)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681555
methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate
CID 55048092
N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
CID 114300828
N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 60977507
(2S)-N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 103872510
(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]oxolane-2-carboxamide
CID 40939596
(2R)-N-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]oxolane-2-carboxamide
CID 166170540
2-(oxolane-2-carbonylamino)-3-pyridin-4-ylpropanoic acid
CID 136551315
(2R)-N-(6-methylheptan-3-yl)oxolane-2-carboxamide
CID 163590521

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide (CID 127692606) is (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide is CC(C)CC(NC(=O)[C@@H]1CCCO1)C(=O)Nc1ccn[nH]1.
What is the InChIKey of (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide?
The InChIKey is OUSUHSLXDRHTLS-DTIOYNMSSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(2)8-10(13(19)17-12-5-6-15-18-12)16-14(20)11-4-3-7-21-11/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,16,20)(H2,15,17,18,19)/t10?,11-/m0/s1.
What are the key properties of (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide?
(2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-methyl-1-oxo-1-(1H-pyrazol-5-ylamino)pentan-2-yl]oxolane-2-carboxamide is sourced from PubChem (CID 127692606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).