N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide

C16H26N4O3 — CID 166380246

IUPACN-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCCC(C(N)=O)N1CCC(NC(=O)c2oc(C(C)C)nc2C)C1
InChIInChI=1S/C16H26N4O3/c1-5-12(14(17)21)20-7-6-11(8-20)19-15(22)13-10(4)18-16(23-13)9(2)3/h9,11-12H,5-8H2,1-4H3,(H2,17,21)(H,19,22)
InChIKeyCNYFTJSUIWWYLF-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.17
Rot. Bonds6

About N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide

N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide (PubChem CID 166380246) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
PubChem CID166380246
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
SMILESCCC(C(N)=O)N1CCC(NC(=O)c2oc(C(C)C)nc2C)C1
InChIInChI=1S/C16H26N4O3/c1-5-12(14(17)21)20-7-6-11(8-20)19-15(22)13-10(4)18-16(23-13)9(2)3/h9,11-12H,5-8H2,1-4H3,(H2,17,21)(H,19,22)
InChIKeyCNYFTJSUIWWYLF-UHFFFAOYSA-N
XLogP1.17
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,4-dimethyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
CID 130662850
2-[3-(methylaminomethyl)pyrrolidin-1-yl]butanamide
CID 63267432
4-methyl-N,2-di(propan-2-yl)-1,3-oxazole-5-carboxamide
CID 177272244
N-[1-[2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166380260
N-[(3S)-1-[(2S)-2-(carbamoylamino)propanoyl]pyrrolidin-3-yl]-2-cyclopropyl-4-methyl-1,3-oxazole-5-carboxamide
CID 166380259
2-[3-methyl-4-(propylamino)piperidin-1-yl]butanamide
CID 114499454
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
2,4-dimethyl-N-pyrrolidin-3-yl-1,3-oxazole-5-carboxamide
CID 81478965
2-(3,4-dihydroxypyrrolidin-1-yl)butanamide
CID 106672064
2-[3-(methylaminomethyl)piperidin-1-yl]butanamide
CID 62899302
(1-propan-2-ylpyrrolidin-3-yl)urea
CID 72571919
N-(4-bromocyclohexyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 114309103

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide (CID 166380246) is N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide is CCC(C(N)=O)N1CCC(NC(=O)c2oc(C(C)C)nc2C)C1.
What is the InChIKey of N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide?
The InChIKey is CNYFTJSUIWWYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-5-12(14(17)21)20-7-6-11(8-20)19-15(22)13-10(4)18-16(23-13)9(2)3/h9,11-12H,5-8H2,1-4H3,(H2,17,21)(H,19,22).
What are the key properties of N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide?
N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-amino-1-oxobutan-2-yl)pyrrolidin-3-yl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 166380246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).