N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide

C14H16N2O3S — CID 174992991

IUPACN-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide
SMILESCc1oc(C(C)OCc2ccccc2)nc1N(S)C=O
InChIInChI=1S/C14H16N2O3S/c1-10-13(16(20)9-17)15-14(19-10)11(2)18-8-12-6-4-3-5-7-12/h3-7,9,11,20H,8H2,1-2H3
InChIKeyKDFFFWZZUNVUEH-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.07
Rot. Bonds6

About N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide

N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide (PubChem CID 174992991) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide.

Molecular Properties

Compound NameN-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide
PubChem CID174992991
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide
SMILESCc1oc(C(C)OCc2ccccc2)nc1N(S)C=O
InChIInChI=1S/C14H16N2O3S/c1-10-13(16(20)9-17)15-14(19-10)11(2)18-8-12-6-4-3-5-7-12/h3-7,9,11,20H,8H2,1-2H3
InChIKeyKDFFFWZZUNVUEH-UHFFFAOYSA-N
XLogP3.07
TPSA55.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazole-4-carbaldehyde
CID 146351688
2-methoxy-2-phenylmethoxyacetaldehyde
CID 87601586
1-[5-(1-phenylmethoxyethyl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120853454
3-phenylmethoxypentanedial
CID 154678181
1-methyl-4-(1-phenylmethoxyethyl)benzene
CID 135034119
diethyl 3-phenylmethoxypentanedioate
CID 73212048
(E)-4-phenylmethoxypent-2-enal
CID 59042461
4-hydroxy-2-phenylmethoxypentanal
CID 150721664
(3R,8R)-3-[tert-butyl(dimethyl)silyl]oxy-8-phenylmethoxydecanedial
CID 101138351
(3R)-3-phenylmethoxyoctadecanal
CID 71606936
(2S,4S)-2-methyl-4-phenylmethoxypentanal
CID 10632107
(2S,3S)-3-methyl-2-phenylmethoxypentanal
CID 86607759

Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide?
The IUPAC name of N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide (CID 174992991) is N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide.
What is the SMILES notation for N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide?
The canonical SMILES for N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide is Cc1oc(C(C)OCc2ccccc2)nc1N(S)C=O.
What is the InChIKey of N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide?
The InChIKey is KDFFFWZZUNVUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10-13(16(20)9-17)15-14(19-10)11(2)18-8-12-6-4-3-5-7-12/h3-7,9,11,20H,8H2,1-2H3.
What are the key properties of N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide?
N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide has a molecular weight of 292.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(1-phenylmethoxyethyl)-1,3-oxazol-4-yl]-N-sulfanylformamide is sourced from PubChem (CID 174992991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).