N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

C16H19N3O3S — CID 3810766

IUPACN-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O3S/c1-10(8-13-9-17-15-7-5-4-6-14(13)15)19-23(20,21)16-11(2)18-22-12(16)3/h4-7,9-10,17,19H,8H2,1-3H3
InChIKeyRLSDKLDTFNGVQE-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.68
Rot. Bonds5

About N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide

N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (PubChem CID 3810766) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
PubChem CID3810766
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
SMILESCc1noc(C)c1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C16H19N3O3S/c1-10(8-13-9-17-15-7-5-4-6-14(13)15)19-23(20,21)16-11(2)18-22-12(16)3/h4-7,9-10,17,19H,8H2,1-3H3
InChIKeyRLSDKLDTFNGVQE-UHFFFAOYSA-N
XLogP2.68
TPSA87.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The IUPAC name of N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide (CID 3810766) is N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide.
What is the SMILES notation for N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The canonical SMILES for N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is Cc1noc(C)c1S(=O)(=O)NC(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
The InChIKey is RLSDKLDTFNGVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-10(8-13-9-17-15-7-5-4-6-14(13)15)19-23(20,21)16-11(2)18-22-12(16)3/h4-7,9-10,17,19H,8H2,1-3H3.
What are the key properties of N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide?
N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-indol-3-yl)propan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide is sourced from PubChem (CID 3810766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).