N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

C18H24N4O2 — CID 124893849

IUPACN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCc1c(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)on2)cnn1C
InChIInChI=1S/C18H24N4O2/c1-10(14-7-12-4-5-13(14)6-12)20-18(23)17-8-16(21-24-17)15-9-19-22(3)11(15)2/h8-10,12-14H,4-7H2,1-3H3,(H,20,23)/t10-,12+,13+,14+/m1/s1
InChIKeyXNDYLEGNCDUJSK-SAXRGWBVSA-N
MW328.42 g/mol
LogP2.94
Rot. Bonds4

About N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (PubChem CID 124893849) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
PubChem CID124893849
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide
SMILESCc1c(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)on2)cnn1C
InChIInChI=1S/C18H24N4O2/c1-10(14-7-12-4-5-13(14)6-12)20-18(23)17-8-16(21-24-17)15-9-19-22(3)11(15)2/h8-10,12-14H,4-7H2,1-3H3,(H,20,23)/t10-,12+,13+,14+/m1/s1
InChIKeyXNDYLEGNCDUJSK-SAXRGWBVSA-N
XLogP2.94
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-3-carboxamide
CID 124893332
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,5-dimethylpyrazole-4-carboxamide
CID 98219920
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 98271656
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 98078761
N-[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-bromofuran-2-carboxamide
CID 1292970
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-bromofuran-2-carboxamide
CID 2932972
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
CID 124825401
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 98288782
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]imidazo[1,5-a]pyridine-7-carboxamide
CID 84578331
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 98219945
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 84578203

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide (CID 124893849) is N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is Cc1c(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)on2)cnn1C.
What is the InChIKey of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is XNDYLEGNCDUJSK-SAXRGWBVSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-10(14-7-12-4-5-13(14)6-12)20-18(23)17-8-16(21-24-17)15-9-19-22(3)11(15)2/h8-10,12-14H,4-7H2,1-3H3,(H,20,23)/t10-,12+,13+,14+/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide?
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 124893849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).