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

C20H24N2O3 — CID 129377025

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1
InChIInChI=1S/C20H24N2O3/c1-12(16-10-13-7-8-14(16)9-13)21-20(23)17-11-19(25-22-17)15-5-3-4-6-18(15)24-2/h3-6,11-14,16H,7-10H2,1-2H3,(H,21,23)/t12-,13+,14+,16-/m1/s1
InChIKeySRURWMAINMQTFI-ORIJERBGSA-N
MW340.42 g/mol
LogP3.90
Rot. Bonds5

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

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 129377025) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID129377025
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1
InChIInChI=1S/C20H24N2O3/c1-12(16-10-13-7-8-14(16)9-13)21-20(23)17-11-19(25-22-17)15-5-3-4-6-18(15)24-2/h3-6,11-14,16H,7-10H2,1-2H3,(H,21,23)/t12-,13+,14+,16-/m1/s1
InChIKeySRURWMAINMQTFI-ORIJERBGSA-N
XLogP3.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 19582703
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 98272059
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
1-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-(2-methoxyphenyl)urea
CID 98159873
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112782384
5-(2-methoxyphenyl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42461695
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2,4-dimethoxybenzamide
CID 98288796
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-bromo-3,5-dimethoxybenzamide
CID 43021469
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide
CID 98487912
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-methoxybenzamide
CID 98233696

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 129377025) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)no1.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is SRURWMAINMQTFI-ORIJERBGSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-12(16-10-13-7-8-14(16)9-13)21-20(23)17-11-19(25-22-17)15-5-3-4-6-18(15)24-2/h3-6,11-14,16H,7-10H2,1-2H3,(H,21,23)/t12-,13+,14+,16-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 340.42 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 129377025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).