N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

C20H28N4O3 — CID 95791820

IUPACN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@H](Cn1nc(C2CC2)ccc1=O)C(C)C
InChIInChI=1S/C20H28N4O3/c1-12(2)18(11-24-20(26)10-8-17(22-24)15-5-6-15)21-19(25)9-7-16-13(3)23-27-14(16)4/h8,10,12,15,18H,5-7,9,11H2,1-4H3,(H,21,25)/t18-/m1/s1
InChIKeyRXEGKVUGUABEHY-GOSISDBHSA-N
MW372.47 g/mol
LogP2.50
Rot. Bonds8

About N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide

N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (PubChem CID 95791820) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
PubChem CID95791820
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
SMILESCc1noc(C)c1CCC(=O)N[C@H](Cn1nc(C2CC2)ccc1=O)C(C)C
InChIInChI=1S/C20H28N4O3/c1-12(2)18(11-24-20(26)10-8-17(22-24)15-5-6-15)21-19(25)9-7-16-13(3)23-27-14(16)4/h8,10,12,15,18H,5-7,9,11H2,1-4H3,(H,21,25)/t18-/m1/s1
InChIKeyRXEGKVUGUABEHY-GOSISDBHSA-N
XLogP2.50
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 122278010
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252751
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide
CID 46959036
6-cyclopropyl-2-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923415
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121084092
3-cyclopropyl-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]propanoic acid
CID 81361737
N-[(4-bromophenyl)-cyclobutylmethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 55915480
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide
CID 16671800
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43238767
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122278208
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 40713174
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The IUPAC name of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide (CID 95791820) is N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide.
What is the SMILES notation for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The canonical SMILES for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is Cc1noc(C)c1CCC(=O)N[C@H](Cn1nc(C2CC2)ccc1=O)C(C)C.
What is the InChIKey of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
The InChIKey is RXEGKVUGUABEHY-GOSISDBHSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-12(2)18(11-24-20(26)10-8-17(22-24)15-5-6-15)21-19(25)9-7-16-13(3)23-27-14(16)4/h8,10,12,15,18H,5-7,9,11H2,1-4H3,(H,21,25)/t18-/m1/s1.
What are the key properties of N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide?
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide is sourced from PubChem (CID 95791820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).