N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

C17H26N4O3 — CID 130188190

IUPACN-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](N)C(=O)N1CCC(C)(CNC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C17H26N4O3/c1-11(18)16(23)21-7-5-17(2,6-8-21)10-19-15(22)13-9-14(24-20-13)12-3-4-12/h9,11-12H,3-8,10,18H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyMTOJMBRJAUIGTN-NSHDSACASA-N
MW334.42 g/mol
LogP1.26
Rot. Bonds5

About N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide

N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (PubChem CID 130188190) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
PubChem CID130188190
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide
SMILESC[C@H](N)C(=O)N1CCC(C)(CNC(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C17H26N4O3/c1-11(18)16(23)21-7-5-17(2,6-8-21)10-19-15(22)13-9-14(24-20-13)12-3-4-12/h9,11-12H,3-8,10,18H2,1-2H3,(H,19,22)/t11-/m0/s1
InChIKeyMTOJMBRJAUIGTN-NSHDSACASA-N
XLogP1.26
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide (CID 130188190) is N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is C[C@H](N)C(=O)N1CCC(C)(CNC(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
The InChIKey is MTOJMBRJAUIGTN-NSHDSACASA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(18)16(23)21-7-5-17(2,6-8-21)10-19-15(22)13-9-14(24-20-13)12-3-4-12/h9,11-12H,3-8,10,18H2,1-2H3,(H,19,22)/t11-/m0/s1.
What are the key properties of N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide?
N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2S)-2-aminopropanoyl]-4-methylpiperidin-4-yl]methyl]-5-cyclopropyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 130188190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).