N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide

C17H21N3O4 — CID 53195449

IUPACN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide
SMILESCc1oc(CNC(=O)c2ccoc2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H21N3O4/c1-11-3-6-20(7-4-11)17(22)15-12(2)24-14(19-15)9-18-16(21)13-5-8-23-10-13/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,18,21)
InChIKeyKBPPGKYBOPTVPE-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.38
Rot. Bonds4

About N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide

N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide (PubChem CID 53195449) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide
PubChem CID53195449
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide
SMILESCc1oc(CNC(=O)c2ccoc2)nc1C(=O)N1CCC(C)CC1
InChIInChI=1S/C17H21N3O4/c1-11-3-6-20(7-4-11)17(22)15-12(2)24-14(19-15)9-18-16(21)13-5-8-23-10-13/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,18,21)
InChIKeyKBPPGKYBOPTVPE-UHFFFAOYSA-N
XLogP2.38
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide?
The IUPAC name of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide (CID 53195449) is N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide.
What is the SMILES notation for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide?
The canonical SMILES for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide is Cc1oc(CNC(=O)c2ccoc2)nc1C(=O)N1CCC(C)CC1.
What is the InChIKey of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide?
The InChIKey is KBPPGKYBOPTVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11-3-6-20(7-4-11)17(22)15-12(2)24-14(19-15)9-18-16(21)13-5-8-23-10-13/h5,8,10-11H,3-4,6-7,9H2,1-2H3,(H,18,21).
What are the key properties of N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide?
N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-methyl-4-(4-methylpiperidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]furan-3-carboxamide is sourced from PubChem (CID 53195449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).