3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide

C23H28N4O3 — CID 155910084

IUPAC3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C)nc(N2C[C@@H]3[C@H](CNC(=O)c4cc(C5CC5)no4)[C@H]4CC[C@]3(C2)O4)c1
InChIInChI=1S/C23H28N4O3/c1-13-7-14(2)25-21(8-13)27-11-17-16(19-5-6-23(17,12-27)29-19)10-24-22(28)20-9-18(26-30-20)15-3-4-15/h7-9,15-17,19H,3-6,10-12H2,1-2H3,(H,24,28)/t16-,17+,19+,23+/m0/s1
InChIKeyRCVSGWZWWLLWKO-UVELEOGVSA-N
MW408.50 g/mol
LogP2.98
Rot. Bonds5

About 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide

3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide (PubChem CID 155910084) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide
PubChem CID155910084
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C)nc(N2C[C@@H]3[C@H](CNC(=O)c4cc(C5CC5)no4)[C@H]4CC[C@]3(C2)O4)c1
InChIInChI=1S/C23H28N4O3/c1-13-7-14(2)25-21(8-13)27-11-17-16(19-5-6-23(17,12-27)29-19)10-24-22(28)20-9-18(26-30-20)15-3-4-15/h7-9,15-17,19H,3-6,10-12H2,1-2H3,(H,24,28)/t16-,17+,19+,23+/m0/s1
InChIKeyRCVSGWZWWLLWKO-UVELEOGVSA-N
XLogP2.98
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide (CID 155910084) is 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide is Cc1cc(C)nc(N2C[C@@H]3[C@H](CNC(=O)c4cc(C5CC5)no4)[C@H]4CC[C@]3(C2)O4)c1.
What is the InChIKey of 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is RCVSGWZWWLLWKO-UVELEOGVSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-13-7-14(2)25-21(8-13)27-11-17-16(19-5-6-23(17,12-27)29-19)10-24-22(28)20-9-18(26-30-20)15-3-4-15/h7-9,15-17,19H,3-6,10-12H2,1-2H3,(H,24,28)/t16-,17+,19+,23+/m0/s1.
What are the key properties of 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide?
3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[(1S,5S,6R,7R)-3-(4,6-dimethyl-2-pyridinyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 155910084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).