2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

C14H19N5O3 — CID 97152064

IUPAC2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H](C)c2nc(CC(C)C)no2)c(=O)[nH]1
InChIInChI=1S/C14H19N5O3/c1-7(2)5-11-18-14(22-19-11)8(3)16-12(20)10-6-15-9(4)17-13(10)21/h6-8H,5H2,1-4H3,(H,16,20)(H,15,17,21)/t8-/m0/s1
InChIKeySDIHTFQOXJNTKF-QMMMGPOBSA-N
MW305.34 g/mol
LogP1.15
Rot. Bonds5

About 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 97152064) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID97152064
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCc1ncc(C(=O)N[C@@H](C)c2nc(CC(C)C)no2)c(=O)[nH]1
InChIInChI=1S/C14H19N5O3/c1-7(2)5-11-18-14(22-19-11)8(3)16-12(20)10-6-15-9(4)17-13(10)21/h6-8H,5H2,1-4H3,(H,16,20)(H,15,17,21)/t8-/m0/s1
InChIKeySDIHTFQOXJNTKF-QMMMGPOBSA-N
XLogP1.15
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 97152064) is 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is Cc1ncc(C(=O)N[C@@H](C)c2nc(CC(C)C)no2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SDIHTFQOXJNTKF-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-7(2)5-11-18-14(22-19-11)8(3)16-12(20)10-6-15-9(4)17-13(10)21/h6-8H,5H2,1-4H3,(H,16,20)(H,15,17,21)/t8-/m0/s1.
What are the key properties of 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1S)-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 97152064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).