3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

C17H23N5O3 — CID 97065767

IUPAC3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C17H23N5O3/c1-10(2)15-14(11(3)20-25-15)16(23)18-12-6-5-8-22(17(12)24)13-7-9-21(4)19-13/h7,9-10,12H,5-6,8H2,1-4H3,(H,18,23)/t12-/m0/s1
InChIKeyOBOXPDMPNSXXLA-LBPRGKRZSA-N
MW345.40 g/mol
LogP1.77
Rot. Bonds4

About 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide

3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 97065767) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID97065767
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
InChIInChI=1S/C17H23N5O3/c1-10(2)15-14(11(3)20-25-15)16(23)18-12-6-5-8-22(17(12)24)13-7-9-21(4)19-13/h7,9-10,12H,5-6,8H2,1-4H3,(H,18,23)/t12-/m0/s1
InChIKeyOBOXPDMPNSXXLA-LBPRGKRZSA-N
XLogP1.77
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 97065767) is 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O.
What is the InChIKey of 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is OBOXPDMPNSXXLA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10(2)15-14(11(3)20-25-15)16(23)18-12-6-5-8-22(17(12)24)13-7-9-21(4)19-13/h7,9-10,12H,5-6,8H2,1-4H3,(H,18,23)/t12-/m0/s1.
What are the key properties of 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide?
3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 345.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3S)-1-(1-methylpyrazol-3-yl)-2-oxopiperidin-3-yl]-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 97065767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).