3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

C21H25N3O3 — CID 72863045

IUPAC3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2c(C)cc3ccccc32)on1
InChIInChI=1S/C21H25N3O3/c1-14-9-18(27-23-14)11-17-12-26-13-19(17)22-21(25)7-8-24-15(2)10-16-5-3-4-6-20(16)24/h3-6,9-10,17,19H,7-8,11-13H2,1-2H3,(H,22,25)/t17-,19+/m1/s1
InChIKeyBJWOIGJPSUNKRV-MJGOQNOKSA-N
MW367.45 g/mol
LogP3.01
Rot. Bonds6

About 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide

3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (PubChem CID 72863045) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
PubChem CID72863045
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide
SMILESCc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2c(C)cc3ccccc32)on1
InChIInChI=1S/C21H25N3O3/c1-14-9-18(27-23-14)11-17-12-26-13-19(17)22-21(25)7-8-24-15(2)10-16-5-3-4-6-20(16)24/h3-6,9-10,17,19H,7-8,11-13H2,1-2H3,(H,22,25)/t17-,19+/m1/s1
InChIKeyBJWOIGJPSUNKRV-MJGOQNOKSA-N
XLogP3.01
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The IUPAC name of 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide (CID 72863045) is 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide.
What is the SMILES notation for 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The canonical SMILES for 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CCn2c(C)cc3ccccc32)on1.
What is the InChIKey of 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
The InChIKey is BJWOIGJPSUNKRV-MJGOQNOKSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-14-9-18(27-23-14)11-17-12-26-13-19(17)22-21(25)7-8-24-15(2)10-16-5-3-4-6-20(16)24/h3-6,9-10,17,19H,7-8,11-13H2,1-2H3,(H,22,25)/t17-,19+/m1/s1.
What are the key properties of 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide?
3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylindol-1-yl)-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]propanamide is sourced from PubChem (CID 72863045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).